samples/dipole/twoSplitDipole.md

#include "splitDipole.md"

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

initialConfig = "./twoSplitDipole.in";


ensemble = NVT;
forceField = "DUFF";
forceFieldFileName = "Lipid.frc";
electrostaticSummationMethod = "none";
dielectric = 80.0;
cutoffRadius = 9.0;
switchingRadius = 7.8;

density = 0.0334;

targetTemp = 10.0;
targetPressure = 1.0;

tauThermostat = 1e4;
tauBarostat = 1e4;

dt = 1.0;
runTime = 1e5;

sampleTime = 1e2;
statusTime = 10;
useInitialTime = "false";
useInitialExtendedSystemState = "false";
Revision:	2311
Committed:	Tue Sep 20 15:34:15 2005 UTC (18 years, 9 months ago) by chrisfen
File size:	531 byte(s)
Log Message:	fixed up some sample md files
#	Content
1	#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	electrostaticSummationMethod = "none";
16	dielectric = 80.0;
17	cutoffRadius = 9.0;
18	switchingRadius = 7.8;
19
20	density = 0.0334;
21
22	targetTemp = 10.0;
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";