You find those definitions in ffG43a1bon.itp. As far as I know, they are simply placeholders for the explicit data. Probably you can insert the explicit data into the rtp file.
Andreas > -----Original Message----- > From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] > On Behalf Of Mattia Sturlese > Sent: 08 April 2008 11:54 > To: [email protected] > Subject: [gmx-users] AA not present in the ffG43a1.rtp > > Dear all, > I have a protein with an oxidated Cys( to sulfinic acid) , this > residue is not present in the residue database. I use PRODGR to obtain > the .itp file of the residue but I don't start grompp .... > > How I insert this residue in the rtp file?? I trying insert the > parameters manually but I have explicit data of angles, bond, dihedral > and impropers....but ffG43a use Gromos Type definition as ga_XX or > gb_XX...... Where i find a database of this gromos type? Or How I can > insert my .itp file ? > > Thanks folk!! > Mattia Sturlese > > _______________________________________________ > gmx-users mailing list [email protected] > 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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list [email protected] 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
