[gmx-users] how to perform a minimization of an isolated drug

Sergio de Alencar sergiodealencar at gmail.com
Wed Jan 16 15:00:11 CET 2008

Dear folks,

I apologize in advance for asking a question which might have been already
answered by the list.

What I need is to do an energy minimization of an isolated drug using
GROMACS. I found out from a previous message that it is possibe to do using
the PRODRG server, but I wonder if it possible to do with GROMACS.

Does anyone know how to do it ?

Thanks a lot

Sérgio de Alencar, M.Sc
Bioinformatics PhD Student
Universidade Federal de Minas Gerais, Brazil
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