AW: Any alternative to colvars for minimization?

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Jun 06 2013 - 02:27:26 CDT

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Do you mean a restraining feature ? What about “extrabonds”?

Norman Geist.

Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag von Francesco Pietra
Gesendet: Donnerstag, 6. Juni 2013 08:37
An: NAMD
Betreff: namd-l: Any alternative to colvars for minimization?

Hello:
May I as whether there is an alternative to (non usable) colvars for minimization with namd2.9/parm7? I would like to restrain dihedrals around a transition metal in a protein. Once passed the minimization, I could use colvars.

Thanks
francesco pietra

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