[gmx-users] Energy minimization
Dhananjay
dhananjay.c.joshi at gmail.com
Wed Jan 11 07:47:04 CET 2006
Hello all,
I want to perform energy minimization and not MD.
A .pdb file is with me and using programme "protonate" the hydrogens has
been added to it.
Now I want to perform energy minimization on this file.
When I tried pdb2gmx to form topology file , the programme asked to ignore
hydrogens using -ignh .
Will it ignore all the added hydrogens ?
If I want to generate .top file incluging added hydrogens, is it possible in
any way ?
-- Dhananjay
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