[gmx-users] position restraints in SMD

Raj princecrusial05 at gmail.com
Mon Jul 16 11:36:06 CEST 2012

Hi all,

 It may be naive but I would like to get some clear explanation in SMD ( COM
pulling) reg. The question is, Before performing the COM-pulling (incase of
protein ligand complex) do we need to position restrain the ligand using
genrestr and then add the topology to the topol.top file. If not why should
not we restrain the ligand. Thanks in advance

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