Hi, when I run pdb2gmx -v -f 2KO3.pdb -o initial-vacuum.gro -ff oplsaa -water tip4p -vsite hydrogens -ignh , I got Fatal error: Invalid directive HISD in vsite database /home/XXX/gromacs/g/share/gromacs/top/oplsaa.ff/aminoacids.vsd . What is the problem? 2KO3.pdb was downloaded from PDB.
Best regards, Ting -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
