Another PSF question...

From: Richard Wood (rwoodphd_at_yahoo.com)
Date: Tue Feb 15 2011 - 16:13:13 CST

Hi all,

Is there a way to avoid VMD (I know this IS the NAMD list) adding methyl groups
to molecules when using Autopsf?

It's really frustrating when your ligand has a CH3 group at the origin and you
optimization blows up because of it.

Richard

      

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