samples/alkane/butane.md

#include "alkanes.md"

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

initialConfig = "./butane.in";
dt = 1.0;
forceField = "DUFF";
ensemble = NVE;
runTime = 10000.0;
sampleTime = 10.0;
Revision:	1490
Committed:	Fri Sep 24 04:16:43 2004 UTC (19 years, 9 months ago) by gezelter
File size:	202 byte(s)
Log Message:	Import of OOPSE v. 2.0
#	User	Rev	Content
1	gezelter	1490	#include "alkanes.md"
2
3			nComponents = 1;
4			component{
5			type = "butane";
6			nMol = 32;
7			}
8
9			initialConfig = "./butane.in";
10			dt = 1.0;
11			forceField = "DUFF";
12			ensemble = NVE;
13			runTime = 10000.0;
14			sampleTime = 10.0;