samples/dipole/twoSplitDipole.md

#include "splitDipole.md"

nComponents = 1;
component{
  type = "HEAD";
  nMol = 2;
}

initialConfig = "./twoSplitDipole.in";


ensemble = NVT;
forceField = "DUFF";
forceFieldFileName = "Lipid.frc";
useReactionField = "false";
dielectric = 80.0;
cutoffRadius = 9.0;
switchingRadius = 7.8;

density = 0.0334;

targetTemp = 0.001;
targetPressure = 1.0;

tauThermostat = 1e4;
tauBarostat = 1e4;

dt = 1.0;
runTime = 1e5;

sampleTime = 1e2;
statusTime = 10;
useInitialTime = "false";
useInitialExtendedSystemState = "false";
Revision:	2106
Committed:	Thu Mar 10 18:44:02 2005 UTC (19 years, 3 months ago) by tim
File size:	521 byte(s)
Log Message:	adding test case for split dipole
#	User	Rev	Content
1	tim	2106	#include "splitDipole.md"
2
3			nComponents = 1;
4			component{
5			type = "HEAD";
6			nMol = 2;
7			}
8
9			initialConfig = "./twoSplitDipole.in";
10
11
12			ensemble = NVT;
13			forceField = "DUFF";
14			forceFieldFileName = "Lipid.frc";
15			useReactionField = "false";
16			dielectric = 80.0;
17			cutoffRadius = 9.0;
18			switchingRadius = 7.8;
19
20			density = 0.0334;
21
22			targetTemp = 0.001;
23			targetPressure = 1.0;
24
25			tauThermostat = 1e4;
26			tauBarostat = 1e4;
27
28			dt = 1.0;
29			runTime = 1e5;
30
31			sampleTime = 1e2;
32			statusTime = 10;
33			useInitialTime = "false";
34			useInitialExtendedSystemState = "false";