On Mon, Jan 23, 2012 at 10:01 AM, Gianluca Interlandi <[email protected]> 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. > > Thanks, > > Gianluca > > ----------------------------------------------------- > Gianluca Interlandi, PhD [email protected] > +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 [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
