On Fri, Feb 3, 2012 at 12:54 PM, Vishwambhar Bhandare <[email protected]> wrote: > Hello, > I am getting error given below, > wht we can do for this? > > > Program pdb2gmx, VERSION 4.5.4 > Source code file: /build/buildd/gromacs-4.5.4/src/kernel/pdb2gmx.c, line: > 655 > > Fatal error: > Atom 'H5T in residue A 1 was not found in rtp entry RA5 with 31 atoms > while sorting atoms.
Pay attention to check the residue A 1 in your input .gro file, and then check the .rtp file in the some_path_to/share/gromacs/top/_your_choice_of_force_field/rtp file. > . > > Thanks and Regards, > -------------------------- > Vishwambhar > Centre for Bioinformatics > Pondicherry University > Pondicherry > -------------------------- > > > > -- > 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 -- 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
