[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
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
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users