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 >
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