Hi, I'm just having some issue creating index file for umbrella sampling.
I have a ligand: Group 20 (NAP) has 73 elements Now when I run following command: gmx make_ndx -f npt.gro and try to add NAP for index.ndx, only 6 elements were being added. I don't understand the problem here. NAP is clearly showing is of 73 elements, but how come it is showing me 6 elements when added to index file ? Please help me out here. Thanks. -- Abhisek Mondal *Senior Research Fellow* *Structural Biology and Bioinformatics Division* *CSIR-Indian Institute of Chemical Biology* *Kolkata 700032* *INDIA* -- 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.
