[gmx-users] Implicit solvent model in Gromacs

[lina]

On Mon, Jan 23, 2012 at 10:01 AM, Gianluca Interlandi
<gianluca at 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.

>
> Thanks,
>
>     Gianluca
>
> -----------------------------------------------------
> Gianluca Interlandi, PhD gianluca at 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.
> -----------------------------------------------------
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