Dear Users I am using the default settings for the pdb2gmx program and I leave the protonation of AA residues to the program.
Can anybody tell me about the default protonation states of LYS, ASP, GLU, CYS or HIS employed by pdb2gmx ? I checked the manual but it is not explicitly mentioned. Is there any literature available. I am sorry if I am asking for too much. Thanks & Regards Agnivo Gosai Grad Student, Iowa State University. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
