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:	1435
Committed:	Thu Jul 29 18:16:16 2004 UTC (20 years, 1 month ago) by tim
File size:	204 byte(s)
Log Message:	working version of simpleBuilder
#	User	Rev	Content
1	gezelter	1420	#include "alkanes.md"
2
3			nComponents = 1;
4			component{
5			type = "butane";
6			nMol = 32;
7			}
8
9	tim	1435	//initialConfig = "./butane.in";
10			dt = 1.0;
11	gezelter	1420	forceField = "DUFF";
12			ensemble = NVE;
13			runTime = 10000.0;
14			sampleTime = 10.0;