water/dimer/two.bass

#include "water.mdl"

nComponents = 1;
component{
  type = "TIP4P";
  nMol = 2;
}

initialConfig = "./two.init";


ensemble = NVT;
forceField = "WATER";
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 = 100;
statusTime = 1;
useInitialTime = "false";
useInitialExtendedSystemState = "false";
Revision:	1337
Committed:	Fri Jul 16 19:56:34 2004 UTC (21 years, 2 months ago) by chrisfen
File size:	474 byte(s)
Log Message:	dimer files added
#	User	Rev	Content
1	chrisfen	1337	#include "water.mdl"
2
3			nComponents = 1;
4			component{
5			type = "TIP4P";
6			nMol = 2;
7			}
8
9			initialConfig = "./two.init";
10
11
12			ensemble = NVT;
13			forceField = "WATER";
14			useReactionField = "false";
15			dielectric = 80.0;
16			cutoffRadius = 9.0;
17			switchingRadius = 7.8;
18
19			density = 0.0334;
20
21			targetTemp = 0.001;
22			targetPressure = 1.0;
23
24			tauThermostat = 1e4;
25			tauBarostat = 1e4;
26
27			dt = 1.0;
28			runTime = 1e5;
29
30			sampleTime = 100;
31			statusTime = 1;
32			useInitialTime = "false";
33			useInitialExtendedSystemState = "false";