Dear XAvier Thank you very much from your response. Yes, I defined mapping in atomistic topology as: [mapping ] 1 1 2 3 4 5 6 because for butanole we have one bead. Please help me.
Best Regards Dina
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
