Dear all, I wonder if GROMACS has "energygrps" option (or any other similar options) for bonded interactions (E_bond, E_ang, E_dih) for different groups. Let's say I have three different chains in a single box and I want to extract the bonded interactions for every chain separately. Would I be able to do that on the fly during Gromacs run. I went through the webmanual and gmx_user page but didn't find any solution for that. I would be very grateful if someone could help me sharing how I could do this.
Thanks in advance. With rrgards -- Debdas Dhabal Postdoctoral Researcher. SEAS, Department of Chemical and Biomolecular Engineering, The University of Pennsylvania, Philadelphia, PA 19104, USA. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
