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";
electrostaticSummationMethod = "none";
dielectric = 80.0;
cutoffRadius = 9.0;
switchingRadius = 7.0;
Revision:	2311
Committed:	Tue Sep 20 15:34:15 2005 UTC (18 years, 9 months ago) by chrisfen
File size:	324 byte(s)
Log Message:	fixed up some sample md files
#	Content
1	#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	electrostaticSummationMethod = "none";
17	dielectric = 80.0;
18	cutoffRadius = 9.0;
19	switchingRadius = 7.0;