Hi, Your first stop should be the article describing the parametrisation of the force field. It might also be useful to look for articles that are doing something similar to what you want to do.
> On 05 May 2016, at 14:49, Casalini Tommaso <[email protected]> > wrote: > > Dear Gromacs users and developers, > I would like to use Amber force field in Gromacs. > I have no problem for topology conversion and so on, but I would like to ask > which are the best settings which should be used for the simulation. > Right now I am using Berendsen barostat (which is implemented in Amber), PME > for electrostatic interactions and Langevin thermostat. I have also put > DispEner = no. > > I would like to ask if you can provide some suggestions for the best settings > that, in your experience, should be used for simulations using Amber force > field. > > I thank you in advance for your help and collaboration. > > Tommaso Casalini > Posdoctoral fellow, ETH Zurich > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to [email protected]. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
