Hi Erik, how much more work is left for the CMAP part? Can one help?
Roland On Thu, Jul 17, 2008 at 3:49 PM, Erik Lindahl <[EMAIL PROTECTED]> wrote: > Hi Roland, > We have it working with pdb2gmx, but not CMAP yet, but we're working on > integrating that. I'll see what I can do about pushing things into CVS when > I'm back from vacation in two weeks! > > Cheers, > > Erik > > > On Thu, Jul 17, 2008 at 6:57 PM, Roland Schulz <[EMAIL PROTECTED]> wrote: > >> Hi all, >> >> who has the CHARMM FF working with Gromacs? I heard that Erik's group has >> something working. Is this correct? My impression is that all force terms >> are supported in the CVS version including CMAP. But obviously converting >> the files in the itp format is not trivial. Which converters do you use? >> I think it would be great to extend the CHARMM FF page >> http://wiki.gromacs.org/index.php/CHARMM to be in a similar way as the >> Amber FF site is, so that not everyone is reinventing the wheel. I'm welcome >> to help in that effort. >> >> Of course in the long run it should be done by the new pbd2gmx but my >> impression is that it will still take quite a long time. >> >> Roland >> > > -- Center for Molecular Biophysics ORNL/UT cmb.ornl.gov
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