http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field
Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3052 [email protected] +61 3 9903 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. > -----Original Message----- > From: [email protected] [mailto:gmx-users- > [email protected]] On Behalf Of Ramon Valencia > Sent: Monday, 4 November 2013 7:17 PM > To: [email protected] > Subject: [gmx-users] Different Residues... > > Hello Dear GROMACS users, > > > I trying to do a MD calculation using GROMACS, but when I running > pdb2gmx I > get the following error: > > Fatal error: > Residue '' not found in residue topology database > > I'm a beginner GROMACS user, but I want to know exactly, how add my > residues to GROMACS step by step?. My residues contain S. > > > Ramon.. > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
