From: Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Fri Apr 08 2005 - 12:18:35 CDT
Hi all,
I have a question... I've been employing the phosphoserine top and par
files found in the last release of the CHARMM ff. The top and parameters
for these "special" residues are found as a 'stream" file, which can be
used together with the CHARMM package. Since psfgen doesn't read this
kind of "stream" files, I just copied the topology and params, and
added it to the "normal" topology and parameter files (e.g.,
top_all27_prot_na.inp). After that I didn't have any problem running my
simulation, but I'm doubting if what I did is enough for my simulation
(I mean, I don't want to obtain meaningless results). Did any of you
have run simulations using these parameters?
All comments are kindly welcome :-)
Peace,
Michel
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