about the MSE residue

From: Shulin Zhuang (shulin.zhuang_at_gmail.com)
Date: Sun Mar 26 2006 - 23:42:16 CST

Dear All,

My pdb file contains a MSE residue. When I use the top_all22_prot.inp in
psfgen program to generate the psf file of this protein,
psfgen complain that " unknown residue type MSE".

I check the top_all22_prot.inp and par_all22_prot.inp, there is no parameter
for MSE. Fortunately, I find its parameters in the following links:
I want to know whether these parameters are appropriate and how to add them
to top_all22_prot.inp and par_all22_prot.inp. Should I just copy them and
paste them to top_all22_prot.inp and par_all22_prot.inp? Is there any other
thing need to be done?

Looking forward to the suggestions.


   Shulin Zhuang
Chemistry Department
Zhejiang University PRC

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