Dear Gromacs User, I want to simulate my protein at a specific pH. Using H++ server I have generated my .pdb file at pH 5. But pdb2gmx is showing all the usual fatal error "like "Atom HB3 in residue MET 1 not found in rtp entry with 17 atoms". But I can't use -ignh option, because it is bringing back at the same normal stage. So what should I do I want to carry out simulation at pH 5.
Thanks Prerna
-- 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

