Hi everybody, I wanted to ask if there is a possibility to tell pdb2gmx which residues I want to be protonated or not. So that I can for example say HIS at position 29 shell be protonated twice.
I need this for further electrostatic analysis. Thank you, Eva -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
