> > Is pdb2gmx recognising the N-terminal residue as PRO? > I think so. However in my case pdb2gmx does not read the entry PRO-NH in the ffG43a1-n.tdb file. Only NH3+,NH2, or None are read. I cheat pdb2gmx by replacing the header [ PRO-NH ] by [ NH2 ] and it works for me now.
Phuong _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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/mailing_lists/users.php
