samples/gbljtest/2gb.md

#include "gb.md"
#include "lj.md"


component{
  type = "GBlinear";
  nMol = 2;
}


initialConfig = "./2gb.in";

ensemble = NVT;
targetTemp = 10;
tauThermostat = 30;
forceField = "DUFF";

cutoffRadius = 20.0;
switchingRadius = 18.0;
dt = 1.0;
runTime = 1e5;
useInitialTime = "false";
useInitialExtendedSystemState = "false";

thermalTime = 10;
sampleTime = 100;
statusTime = 1;
Revision:	2802
Committed:	Tue Jun 6 17:43:28 2006 UTC (18 years, 3 months ago) by gezelter
File size:	378 byte(s)
Log Message:	testing GB, removing CM drift in Langevin Dynamics, fixing a memory leak, adding a visitor
#	Content
1	#include "gb.md"
2	#include "lj.md"
3
4
5	component{
6	type = "GBlinear";
7	nMol = 2;
8	}
9
10
11	initialConfig = "./2gb.in";
12
13	ensemble = NVT;
14	targetTemp = 10;
15	tauThermostat = 30;
16	forceField = "DUFF";
17
18	cutoffRadius = 20.0;
19	switchingRadius = 18.0;
20	dt = 1.0;
21	runTime = 1e5;
22	useInitialTime = "false";
23	useInitialExtendedSystemState = "false";
24
25	thermalTime = 10;
26	sampleTime = 100;
27	statusTime = 1;