Dear friends, My run commands are below. It works without any error. However if I add -water tip3p at the end of pdg2gmx ... line it causes an error (Atomtpe HW not found) at grompp time.
Could anyone explain the difference? trevor pdb2gmx -ignh -f XXX.pdb -o fws.gro -p fws.top editconf -f fws.gro -bt dodecahedron -d 1.0 editconf -f out.gro -o fws_ctr.gro -center 1.7 1.7 1.2 genbox -cp fws_ctr.gro -cs spc216.gro -o fws_b4em.gro -p fws.top
-- 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
