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 (20 years, 1 month ago) by gezelter
File size:	203 byte(s)
Log Message:	BASS eradication project (part 4)
#	User	Rev	Content
1	gezelter	1420	#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;