Dear Users,
I am trying to use the free energy code to partially shut down the non-bonded interactions in part of my system. I only want to decouple interaction in some part of my system, I have put all the desired residues in groups in the index file. What should I indicate for the couple_moltype line? As the system consists of large number of atoms in the same molecule type. Introducing a new molecule type is not possible because the atoms are connected chain-wise and I want to decouple the interactions in the middle of the chain. Thank you for your responses. Regards, Ali -- 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.
