[gmx-users] Fw: PME two Chain

Flavia Autore fautore at unina.it
Wed Oct 26 13:01:58 CEST 2005

Hi all
I performed a MD with PME of two chain A and B but  I didn't  separate
groups in an .ndx
file, and specify 'energy_grps = ChainA ChainB' in my .mdp file.
Now is possible  to calculate SR coulomb protein-protein?


- - - -
Dr. Flavia Autore
Dipartimento di Chimica Organica e Biochimica
Complesso Universitario Monte S. Angelo
Via Cynthia, 4 - 80126 Napoli
tel 0039 081 674114

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