samples/alkane/butane.md

#include "alkanes.md"


nComponents = 1;
component{
  type = "butane";
  nMol = 32;
}

initialConfig = "./butane.in";
forceField = "DUFF";
ensemble = NVE;
dt = 1.0;
runTime = 10000.0;
sampleTime = 10.0;
Revision:	1420
Committed:	Tue Jul 27 18:25:02 2004 UTC (21 years, 1 month ago) by gezelter
File size:	203 byte(s)
Log Message:	BASS eradication project (part 4)
#	Content
1	#include "alkanes.md"
2
3
4	nComponents = 1;
5	component{
6	type = "butane";
7	nMol = 32;
8	}
9
10	initialConfig = "./butane.in";
11	forceField = "DUFF";
12	ensemble = NVE;
13	dt = 1.0;
14	runTime = 10000.0;
15	sampleTime = 10.0;