Re: [gmx-users] Does anyone know how to get the file charmm_gromacs.tar.gz?

Hi, I have the same problem, I need to implement the general CHARMM forcefield in gromacs, so I need to know how to convert the rtf files into rtp files in gromacs On Sun, Aug 22, 2010 at 10:11 AM, David van der Spoel wrote: > On 2010-08-22 15.16, Michael McGovern wrote: > >> I'm looking for an r

[gmx-users] general Charmm forcefield in gromacs

Hi Does anyone have experience of implementing General Charm force field in gromacs before? Could you please share the files for generating the topologies files (.atp, .itp etc). Thank you Fang -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users P

Re: [gmx-users] Re: parameters of Sodium Sulfate

What about sulfonate, does anyone has parameters for [(SO3)-] On Sat, Jun 12, 2010 at 9:17 AM, Vitaly Chaban wrote: > Hmm... What's the problem? OPLS contains the parameters both for S and > O. If you want a better model of this anion, I'd suggest to look for > the respective articles. > > Also,