Dear Justin, For 2 new entries in aminoacids.rtp file, I deleted OE2 atom of GLU residue and HZ2 and HZ3 atoms of LYS residue. Is it true? I compared CYS and CYS2 residues in aminoacids.rtp file, in both case all atoms exist (unlike my case). But there are difference in charges and charge groups. How to set charges and charge groups in my case (for Gly2 and Lys2)?
You mentioned to special bond distance matrix. Which file contains special bond distance matrix, after pdb2gmx? -- 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.
