On Tue, Jan 24, 2012 at 12:08 AM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > lina wrote: >> >> On Mon, Jan 23, 2012 at 10:01 AM, Gianluca Interlandi >> <gianl...@u.washington.edu> wrote: >>> >>> Dear gromacs users list, >>> >>> I noticed that gromacs can perform simulations with an implicit solvent >>> model using a GBSA method. Is it compatible with the CHARMM22 force >>> field? >> >> >> look for gbsa.itp showed >> >> amber03.ff/forcefield.itp >> amber03.ff/gbsa.itp >> amber94.ff/forcefield.itp >> amber94.ff/gbsa.itp >> amber96.ff/forcefield.itp >> amber96.ff/gbsa.itp >> amber99.ff/forcefield.itp >> amber99.ff/gbsa.itp >> amber99sb.ff/forcefield.itp >> amber99sb.ff/gbsa.itp >> amber99sb-ildn.ff/forcefield.itp >> amber99sb-ildn.ff/gbsa.itp >> amberGS.ff/forcefield.itp >> amberGS.ff/gbsa.itp >> oplsaa.ff/forcefield.itp >> oplsaa.ff/gbsa.itp >> >> seems not. >> > > It's called gb.itp in the charmm27.ff subdirectory.
Thanks. your information is very helpful. I know the answer asked on another thread. > > -Justin > > >>> Thanks, >>> >>> Gianluca >>> >>> ----------------------------------------------------- >>> Gianluca Interlandi, PhD gianl...@u.washington.edu >>> +1 (206) 685 4435 >>> http://artemide.bioeng.washington.edu/ >>> >>> Postdoc at the Department of Bioengineering >>> at the University of Washington, Seattle WA U.S.A. >>> ----------------------------------------------------- >>> -- >>> 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 > > > -- > ======================================== > > 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 -- 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
