sander_pmemd_nmropt_wt_change Struct Reference

#include <run_control.h>

List of all members.

Public Attributes
char *	type
	the type of change, e.g., TEMP0, TAUTP, etc.
int	istep1
int	istep2
	beginning and ending steps for the change
int	value1
int	value2
	change from value1 at istep1 to value2 at istep2

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Detailed Description

Contains control-change informatin pertinent to a sander/pmemd run. Currently, in the interest of time, I'm only writing it to contain the pieces I typically use in a run. The rest can be added later as these structs are easily extensible.

Definition at line 174 of file run_control.h.

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Member Data Documentation

int sander_pmemd_nmropt_wt_change::istep1

Definition at line 176 of file run_control.h.

int sander_pmemd_nmropt_wt_change::istep2

beginning and ending steps for the change

Definition at line 176 of file run_control.h.

char* sander_pmemd_nmropt_wt_change::type

the type of change, e.g., TEMP0, TAUTP, etc.

Definition at line 175 of file run_control.h.

int sander_pmemd_nmropt_wt_change::value1

Definition at line 177 of file run_control.h.

int sander_pmemd_nmropt_wt_change::value2

change from value1 at istep1 to value2 at istep2

Definition at line 177 of file run_control.h.

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The documentation for this struct was generated from the following file:

• inc/AMBER/run_control.h