Hello,
I have a pretty small system, which was solvated, ionised, minimised and
pulled. Now I want to do a normal modes analysis and essential dynamics
analysis for this system. But running grompp and then mdrun I get
hessian matrix for whole system (protein + solvate + ions). How I can
get the normal modes (hessian matrix) only for protein atoms in my
system?
Sincerely.
Olga.
--
Olga
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от Discovery Channel на Рамблере.
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