samples/alkane/butane.md

#include "alkanes.md"


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

initialConfig = "./butane.in";
dt = 1.0;
forceField = "DUFF";
ensemble = NVE;
runTime = 10000.0;
sampleTime = 10.0;
Revision:	2489
Committed:	Tue Dec 6 16:49:59 2005 UTC (18 years, 6 months ago) by tim
File size:	186 byte(s)
Log Message:	remove deprecated keywords from samples
#	Content
1	#include "alkanes.md"
2
3
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;