----- Original Message ----- From: Yao Yao <[email protected]> Date: Saturday, September 11, 2010 10:00 Subject: [gmx-users] OWT5 not found in Charmmff To: [email protected]
> > > > I am running tip5p in charmm force field in gmx. In energy > minimization step, it gives an error msg as below. I just simply > added it in atomtypes.atp in charmm27.ff, but still it doesn't > work. Does anyone know how to solve it? Depends what you've done. My instructions about copying the charmm27.ff directory should have worked. More than tip5p.itp is required, and it has to go where pdb2gmx will find it - either in the local copy of the directory, or in the $GMXLIB version.. Mark > ------------------------------------------------------- > > Program grompp, VERSION 4.5-beta3 > > Source code file: toppush.c, line: 1166 > > > > Fatal error: > > Atomtype OWT5 not found > > For more information and tips for troubleshooting, please > > check the GROMACS > > website at http://www.gromacs.org/Documentation/Errors > > ------------------------------------------------------ > > > >> > > > > > -- > 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
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