[gmx-users] constrained minimization

rob yang nextgame at hotmail.com
Fri Jan 6 21:23:40 CET 2006


Dear list,
Is there a way to perform minimizations with 1 or more torsion angles 
frozen? Can ffscan do it? If so, where would I find an example file on the 
"param.dat" file that's needed for ffscan? Thank you very much in advance.

Rob





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