----- Original Message ----- From: Arthur Roberts <[email protected]> Date: Friday, June 4, 2010 13:57 Subject: [gmx-users] Is there a way to energy minimize only part of macromolecular structure? To: gmx users <[email protected]>
> Hi, all, > > Is there a way to energy minimize only part of the > structure? I have made the ndx file, but I am not sure > what parameters to use with mdrun. Your help is much > appreciated. Freeze groups presumably work with EM. See various places in the manual. Mark
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