2011/1/20 Justin A. Lemkul <jalem...@vt.edu> > > > Qin Qiao wrote: > >> Dear all, >> >> I would like to try a new forcefield in Gromacs 4.5.3. What should I do >> after I copied the ff to /share/gromacs/top directory? It seems the original >> FF.dat doesn't exist in 4.5.3.. Could you give me some help? >> >> > pdb2gmx detects forcefield directories by searching for names that end in > .ff, then looking in that directory for a "forcefield.doc" file that > contains a brief description of the force field. > > -Justin >
Thanks. But I cannot find the new forcefield when I used pdb2gmx.. the folder of ff is named 'PACE.ff' > > Best, >> >> Qin >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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