[gmx-users] Normal modes for certain group

Ольга Кононова lopuuuuh at rambler.ru
Sat Dec 11 07:26:59 CET 2010


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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