sander_pmemd_ewald Struct Reference

#include <run_control.h>

List of all members.

Public Attributes
int	nbflag
	Tells how to determine when to update the nonbonded list. See manual.
double	skinnb
	Used when nbflag=1. See manual.

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Detailed Description

Contains control-ewald 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 165 of file run_control.h.

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Member Data Documentation

int sander_pmemd_ewald::nbflag

Tells how to determine when to update the nonbonded list. See manual.

Definition at line 166 of file run_control.h.

double sander_pmemd_ewald::skinnb

Used when nbflag=1. See manual.

Definition at line 167 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