Hello Sir, I want to make a new group that contain 2-3 amino acid residues present in protein. But when I am running nvt simulation with this new group error message like multiple t-coupling groups in (1 and 3). So, I am using "splitres" option in make_ndx module of gromacs to separate number of residues in protein. Is there any way to combine these separated residues to make a new group .
Best Regards, *Neha* Research Scholar, Centre for Computational Biology and Bioinformatics, School of Life Sciences, Central University of Himachal Pradesh, -- 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.
