Greetings I want to calculate hydrogen bonds between solvent molecules and a set of residues.
For that I have created an Index file with: 13 (sol) & a OW (group 1) r 1-10 & a H (group 2) But the g_hbond shows error - nothing to be done if I give -num and If I give -contact, it does start but fails to read frames. Kindly suggest the right approach to evaluate hydrogen bonding between solvent molecules and protein residues. I also tried reading http://www.gromacs.org/Documentation/Gromacs_Utilities/g_hbond - it does not open. -- 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 [email protected].
