[gmx-users] AMBER ff10 with Gromacs

Dear All I never used Gromacs for nucleic acids. In AMBER there is ff10 (ff99SB+parmbasco+ also one needs to add ions according to water used by Thomas Cheatham et al.) does gromacs include this force field (AMBER ff implemented in gromacs)? regards JIo -- Gromacs Users mailing list * Please s

Re: [gmx-users] AMBER ff10 with Gromacs

Hi, If you look at share/gromacs/top/ in the GROMACS installation directory you can see which FF-s are included and amberff10 is not there, so the answer is no. Cheers, -- Szilárd On Wed, Nov 27, 2013 at 12:33 AM, gromacs query wrote: > Dear All > > I never used Gromacs for nucleic acids. In A

Re: [gmx-users] AMBER ff10 with Gromacs

In addition to where Szilard said to look, you can also try looking for force fields on the user contributions part of the GROMACS website: http://www.gromacs.org/Downloads/User_contributions/Force_fields If you need to use AMBER99SB force field with the ParmBSC0 nucleic acid parameters, this

Re: [gmx-users] AMBER ff10 with Gromacs

PS: googling AMBER FF10 + GROMACS does give (at least) one relevant result: http://pubs.rsc.org/en/Content/ArticlePDF/2013/CP/c2cp44100d They may have something useful and may be willing to share (and it would certainly be useful to have it in the contrib FF section as well). Cheers, -- Szilárd

Re: [gmx-users] AMBER ff10 with Gromacs

Hi, both links helped: http://www.gromacs.org/Downloads/User_contributions/Force_fields (for ff99sb and parmbsc0 but need to check for double stranded dna) and improved ions here: http://pubs.rsc.org/en/Content/ArticlePDF/2013/CP/c2cp44100d (they used Cheatham ions with Gromacs, may need to modif