GLYLIB
0.3.0b
|
#include <amber_prmtop_structs.h>
Public Attributes | |
char * | FN |
char * | VERSION |
int | nS |
char ** | SN |
amber_prmtop_section * | S |
int | nSS |
int * | SS |
int | nES |
int * | ES |
int | nFF |
int * | FORMATS |
char ** | FLAGS |
int | ITITL |
int | POINTERS |
int | NATOM |
int | NTYPES |
int | NBONH |
int | MBONA |
int | NTHETH |
int | MTHETA |
int | NPHIH |
int | MPHIA |
int | NHPARM |
int | NPARM |
int | NEXT |
int | NRES |
int | NBONA |
int | NTHETA |
int | NPHIA |
int | NUMBND |
int | NUMANG |
int | NPTRA |
int | NATYP |
int | NPHB |
int | IFPERT |
int | NBPER |
int | NGPER |
int | NDPER |
int | MBPER |
int | MGPER |
int | MDPER |
int | IFBOX |
int | NMXRS |
int | IFCAP |
int | IGRAPH |
int | CHRG |
int | AMASS |
int | IAC |
int | NUMEX |
int | ICO |
int | LABRES |
int | IRES |
int | IPRES |
int | RK |
int | REQ |
int | TK |
int | TEQ |
int | PK |
int | PN |
int | PHASE |
int | SOLTY |
int | CN1 |
int | CN2 |
int | IBH |
int | JBH |
int | ICBH |
int | IB |
int | JB |
int | ICB |
int | ITH |
int | JTH |
int | KTH |
int | ICTH |
int | IT |
int | JT |
int | KT |
int | ICT |
int | IPH |
int | JPH |
int | KPH |
int | LPH |
int | ICPH |
int | IP |
int | JP |
int | KP |
int | LP |
int | ICP |
int | NATEX |
int | ASOL |
int | BSOL |
int | HBCUT |
int | ISYMBL |
int | ITREE |
int | JOIN |
int | IROTAT |
int | IPTRES |
int | NSPM |
int | NSPSOL |
int | NSP |
int | BETA |
int | BOX |
int | NATCAP |
int | CUTCAP |
int | XCAP |
int | YCAP |
int | ZCAP |
int | IBPER |
int | JBPER |
int | ICBPER |
int | IPTER |
int | JTPER |
int | KTPER |
int | ICTPER |
int | IPPER |
int | JPPER |
int | KPPER |
int | LPPER |
int | ICPPER |
int | LRESPER |
int | IGRPER |
int | ISMPER |
int | ALMPER |
int | IAPER |
int | IACPER |
int | CGPER |
int | ATPOL |
int | ATPOL1 |
Definition at line 67 of file amber_prmtop_structs.h.
Definition at line 306 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 121 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 228 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 316 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 319 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 261 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 262 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 234 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 313 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 118 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 166 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 172 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 267 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int* amber_prmtop::ES |
Definition at line 76 of file amber_prmtop_structs.h.
char** amber_prmtop::FLAGS |
Definition at line 78 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
char* amber_prmtop::FN |
Definition at line 68 of file amber_prmtop_structs.h.
Referenced by read_amber_prmtop_asis().
int * amber_prmtop::FORMATS |
Definition at line 77 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 237 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 123 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 310 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 308 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::IB |
Definition at line 187 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 183 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 276 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 189 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 185 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 279 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 129 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 215 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 207 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 296 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 200 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 194 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 287 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 112 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 114 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 105 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 116 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 302 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::IP |
Definition at line 211 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 203 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 291 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 147 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 283 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 253 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 143 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 248 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 304 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 239 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::IT |
Definition at line 197 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 191 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 80 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 241 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::JB |
Definition at line 188 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 184 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 277 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 245 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::JP |
Definition at line 212 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 204 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 292 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::JT |
Definition at line 198 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 192 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 284 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::KP |
Definition at line 213 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 205 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 293 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::KT |
Definition at line 199 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 193 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 285 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 140 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::LP |
Definition at line 214 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 206 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 294 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 300 of file amber_prmtop_structs.h.
Definition at line 88 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 109 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 111 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 110 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 92 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 90 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 265 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 221 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 85 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 103 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 97 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 87 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 106 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 108 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 75 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 95 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 77 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and deallocateAmberPrmtop().
Definition at line 107 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 93 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 113 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 94 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 104 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 99 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 91 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 102 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 96 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
int amber_prmtop::nS |
Definition at line 70 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), deallocateAmberPrmtop(), parse_amber_prmtop(), read_amber_prmtop_asis(), and write_amber_prmtop().
Definition at line 258 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 255 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 256 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 73 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init().
Definition at line 98 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 89 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 86 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 101 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 100 of file amber_prmtop_structs.h.
Referenced by amber_prmtop_init(), and parse_amber_prmtop().
Definition at line 126 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 162 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::PK |
Definition at line 158 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::PN |
Definition at line 160 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 83 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 152 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::RK |
Definition at line 150 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 72 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop(), read_amber_prmtop_asis(), and write_amber_prmtop().
char** amber_prmtop::SN |
Definition at line 71 of file amber_prmtop_structs.h.
Referenced by read_amber_prmtop_asis().
Definition at line 164 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int* amber_prmtop::SS |
Definition at line 74 of file amber_prmtop_structs.h.
Definition at line 156 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
int amber_prmtop::TK |
Definition at line 154 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
char* amber_prmtop::VERSION |
Definition at line 69 of file amber_prmtop_structs.h.
Referenced by read_amber_prmtop_asis(), and write_amber_prmtop().
Definition at line 268 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 269 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().
Definition at line 270 of file amber_prmtop_structs.h.
Referenced by parse_amber_prmtop().