[gmx-users] Fw: PME two Chain

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?

thanks
flavia

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