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:	983
Committed:	Tue Jun 6 17:43:28 2006 UTC (19 years, 5 months ago) by gezelter
Original Path:	*trunk/samples/gbljtest/2gb.md*
File size:	378 byte(s)
Log Message:	testing GB, removing CM drift in Langevin Dynamics, fixing a memory leak, adding a visitor
#	User	Rev	Content
1	gezelter	685	#include "gb.md"
2			#include "lj.md"
3
4	tim	790
5	gezelter	685	component{
6	gezelter	983	type = "GBlinear";
7	gezelter	685	nMol = 2;
8			}
9
10
11			initialConfig = "./2gb.in";
12
13			ensemble = NVT;
14	gezelter	983	targetTemp = 10;
15			tauThermostat = 30;
16	gezelter	685	forceField = "DUFF";
17
18			cutoffRadius = 20.0;
19			switchingRadius = 18.0;
20			dt = 1.0;
21	gezelter	983	runTime = 1e5;
22	gezelter	685	useInitialTime = "false";
23			useInitialExtendedSystemState = "false";
24
25			thermalTime = 10;
26			sampleTime = 100;
27			statusTime = 1;