Dear Dallas: Thanks a lot for your reply. But I didn't quite understand "no function types defined in your bonds, angles and dihedrals". Could you give more details? Angel
> > Today's Topics: > > 1. RE: [gmx-user]Error by pdb2gmx (Dallas > B. Warren) > 2. Re: Virial and Pressure (Mark > Abraham) > 3. add missing atom (you zou) > 4. Gromacs 3.3.3 segmentation fault on > SLES10.2 x86_64 Xeon > architecture - Intel Compilers & > Intel MKL > (Juan Alejandro Palomino Benito) > 5. Re: Gromacs 3.3.3 segmentation fault > on SLES10.2 x86_64 Xeon > architecture - Intel Compilers & > Intel MKL (David van der Spoel) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Fri, 28 May 2010 12:28:04 +1000 > From: "Dallas B. Warren" <[email protected]> > Subject: RE: [gmx-users] [gmx-user]Error by pdb2gmx > To: Discussion list for GROMACS users <[email protected]> > Message-ID: > <[email protected]> > Content-Type: text/plain; charset=utf-8 > > You have no function types defined in your bonds, angles > and dihedrals. > > Catch ya, > > Dr. Dallas Warren > Drug Delivery, Disposition and Dynamics > Monash Institute of Pharmaceutical Sciences, Monash > University > 381 Royal Parade, Parkville VIC 3010 > [email protected] > +61 3 9903 9167 > --------------------------------- > When the only tool you own is a hammer, every problem > begins to resemble a nail. > -- gmx-users mailing list [email protected] http://lists.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
