[gmx-users] problem in energy minimisation to allow only hydrogen molecule to relax
sharmanitu35 at gmail.com
Mon Jul 6 08:21:41 CEST 2009
I have to apply only Hydrogen molecule will be relax during energy
minimization of protein molecule.
can anyone have idea about what short of changes I have to make in em.mdp
file to allow only hydrogen molecule is relaxable during energy
my em.mdp file like this-
Thanks a lot in advance.
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