samples/minimizer/ssdEM.md

#include "water.md"


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

initialConfig = "./ssdEM.in";

minimizer = CG;
minimizerMaxIter = 500;
minimizerWriteFrq = 1;
minimizerStepSize = 0.01;
forceField = "DUFF";
electrostaticSummationMethod = "none";
dielectric = 80.0;
cutoffRadius = 9.0;
switchingRadius = 7.0;
Revision:	790
Committed:	Tue Dec 6 16:49:59 2005 UTC (19 years, 11 months ago) by tim
Original Path:	*trunk/samples/minimizer/ssdEM.md*
File size:	308 byte(s)
Log Message:	remove deprecated keywords from samples
#	User	Rev	Content
1	gezelter	2	#include "water.md"
2
3	tim	790
4	gezelter	2	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	chrisfen	612	electrostaticSummationMethod = "none";
17	gezelter	2	dielectric = 80.0;
18			cutoffRadius = 9.0;
19			switchingRadius = 7.0;