Hi everybody, when I want the program "pdb2gmx" only to create a topology file but not to change anything at the protein. Not even adding hydrogen atoms to the protein. Because my protein already has hydrogen atoms. I only added one residue and I want to minimize this residue now.
Do I have to call it like this: pdb2gmx -f inputProtein.pdb -o outputProtein.gro -p protein.top -i posre.itp -water none -ff amber03 -ignh Is that right? Thank you -- 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
