[gmx-users] localized molecular dynamics

Giacomo Bastianelli gbastian at pasteur.fr
Wed Dec 13 14:25:40 CET 2006

Dear users,

I was wondering if it is possible with gromacs
to run a MD of a protein just in few residues (let's say a pocket).
Does it reduce the calculation time for the dynamics?

thanks in advance,

Giacomo Bastianelli

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