From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Thu Nov 06 2003 - 16:34:53 CST
Hi Zhilei,
The manual at:
www.ks.uiuc.edu/Research/namd/current/ug/node27.html#7074
gives the commands.
you need to make a copy of a pdb file for your system and modify the
columns to constrain CA atoms.
Brian
On Thu, 6 Nov 2003, Zhilei Chen wrote:
> Hi,
>
> I want to set harmonic constraints to the alpha carbon of my protein during
> energy minimization. Can anybody tell me how to do it?
>
> thanks
>
> zhilei
>
-- ***************************************************************** **Brian Bennion, Ph.D. ** **Computational and Systems Biology Division ** **Biology and Biotechnology Research Program ** **Lawrence Livermore National Laboratory ** **P.O. Box 808, L-448 bennion1_at_llnl.gov ** **7000 East Avenue phone: (925) 422-5722 ** **Livermore, CA 94550 fax: (925) 422-6605 ** *****************************************************************
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