Hi, I'm new user of Gromacs. There are plenty examples how to do solvation study of various proteins. But I'd like to "solvate" highly ordered heavy water clusters in box of light water. At the first step when I execute "pdb2gmx -f watercluster.pdb" I get an error no matter which model is chosen: -------------------------------------------------------
Fatal error: Atom H in residue HOH 4 not found in rtp entry with 3 atoms while sorting atoms. Maybe different protonation state. Remove this hydrogen or choose a different protonation state. Option -ignh will ignore all hydrogens in the input. ------------------------------------------------------- Can anybody help me how to solve this problem? Thanks a lot Oleksandr -- 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/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/mailing_lists/users.php
