samples/gbljtest/gbRotRoundY.md

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


component{
  type = "C";
  nMol =1;
}
component{
  type = "GBlinear";
  nMol = 1;
}


initialConfig = "./gbRotRoundY.in";

ensemble = NVE;
targetTemp = 1;
tauThermostat = 1000;
forceField = "DUFF";

cutoffRadius = 20.0;
switchingRadius = 18.0;
dt = 1;
runTime = 100000;
useInitialTime = "false";
useInitialExtendedSystemState = "false";

thermalTime = 10;
sampleTime = 100;
statusTime = 1;
Revision:	2802
Committed:	Tue Jun 6 17:43:28 2006 UTC (18 years ago) by gezelter
File size:	426 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 = "C";
7	nMol =1;
8	}
9	component{
10	type = "GBlinear";
11	nMol = 1;
12	}
13
14
15	initialConfig = "./gbRotRoundY.in";
16
17	ensemble = NVE;
18	targetTemp = 1;
19	tauThermostat = 1000;
20	forceField = "DUFF";
21
22	cutoffRadius = 20.0;
23	switchingRadius = 18.0;
24	dt = 1;
25	runTime = 100000;
26	useInitialTime = "false";
27	useInitialExtendedSystemState = "false";
28
29	thermalTime = 10;
30	sampleTime = 100;
31	statusTime = 1;