samples/minimizer/ssdEM.md

#include "water.md"

nComponents = 1;
component{
  type = "SSD";
  nMol = 256;
}

initialConfig = "./ssdEM.in";

minimizer = CG;
minimizerMaxIter = 500;
minimizerWriteFrq = 1;
minimizerStepSize = 0.01;
forceField = "DUFF";
useReactionField = "false";
dielectric = 80.0;
cutoffRadius = 9.0;
switchingRadius = 7.0;
Revision:	1447
Committed:	Fri Jul 30 21:01:35 2004 UTC (20 years, 1 month ago) by gezelter
File size:	313 byte(s)
Log Message:	Initial import of OOPSE sources into cvs tree
#	User	Rev	Content
1	gezelter	1447	#include "water.md"
2
3			nComponents = 1;
4			component{
5			type = "SSD";
6			nMol = 256;
7			}
8
9			initialConfig = "./ssdEM.in";
10
11			minimizer = CG;
12			minimizerMaxIter = 500;
13			minimizerWriteFrq = 1;
14			minimizerStepSize = 0.01;
15			forceField = "DUFF";
16			useReactionField = "false";
17			dielectric = 80.0;
18			cutoffRadius = 9.0;
19			switchingRadius = 7.0;