I created a new ffoplsaa.rtp entry for ASN with a polysacharide attached to the side chain nitrogen called ASBG. I want to test the new residue by itself. When I pdb2gmx it I get the following error.
------------------------------------------------------- Program pdb2gmx, VERSION 4.0.3 Source code file: pgutil.c, line: 87 Fatal error: Atom N not found in residue 1094904186 while adding improper ------------------------------------------------------- If I comment out CA +N C O improper_O_C_X_Y Then pdb2gmx creates the gro and top with no error messages. I saw an much earlier post by Justin with a similar error message but no resolution. Anyone have anythoughts? Thanks, Ilya -- Ilya Chorny Ph.D.
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
