From: Navratna Vajpai (navratna.vajpai_at_unibas.ch)
Date: Mon Feb 06 2006 - 11:37:14 CST
Dear Namd Users
This is in regard to the the patch in psfgen. Actually i have been
trying to set up a cis proline peptide for a MD run in namd. I
started looking for it in the topology file.
(top-all22_prot.inp) but could not find anything. then i looked in to
the xplor and found an option "patch CIPP" which actually generates
a cis peptide by changing the psf after taking input from the
previously generated file.
Is there any way to generate the same using psfgen directly. I have
tried to introduce the patch CIPP in top_all22_prot.inp but could not
Kindly let me know if you have wiser idea.
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