[gmx-users] position restraints and minimizers

Malcolm Gillies malcolm.b.gillies at anu.edu.au
Wed Jan 7 07:09:00 CET 2004

Hi --

do any of the minimizers in gromacs (3.1.4, 3.2.0 or CVS versions) work
with position restraints?

I'm trying to duplicate a published CHARMM protocol that begins with a
C-alpha-restrained CG minimization of a PDB structure.


Malcolm Gillies <Malcolm.B.Gillies at anu.edu.au>
Postdoctoral Fellow, Computational Proteomics and Therapy Design Group,
John Curtin School of Medical Research, Australian National University

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