GEO_OPT with constrained distances
Lavinia
ariell... at gmail.com
Wed Apr 9 22:54:58 UTC 2014
Dear experts,
How can I setup a geometry optimization calculation with constrained
distances i.e. how do I keep colvars at constant values in GEO_OPT? Could
you please provide some sample input?
Sincerely,
Lavinia
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