[gmx-users] implicit water model for protein folding simulation
devicerandom at gmail.com
Sat Jul 24 13:00:31 CEST 2010
On 24/07/10 01:24, Samrat Pal wrote:
> I am trying to do some folding simulations in GROMACS. I saw few mails in the
> list stating that implicit water model will be available in GROMACS 4.0 version.
> However, I have not found anything on the implicit model in the manual. I am
> currently using GROMACS 4.0.7 version. Is it possible to run simulations using
> implicit water model (GB or something)? If that so, then please anyone give me a
> model .mdp file or any input file where the option for implcit model can be
As far as I know, implicit solvent is still not available in the
currently released version of GROMACS. You can download the last Git
snapshots, these should support it.
More information about the gromacs.org_gmx-users