[gmx-users] AMBER (parm96) force field & hydrogen/termini database

[Marc Baaden]

Hi,

I was also at some point thinking of porting AMBER forcefields to
Gromacs (mainly in order to be able to re-run/complete previous
work done with Amber).

I haven't done anything serious yet, and don't know if I will be able
to help, but an excellent starting point/tool might be the already
existing Amber converter AmberFFC written in perl. Have a look at

http://www.u-picardie.fr/UPIC/UPJV/recherche/labos/bpd/AmberFFC.htm


Concerning what you already did, Anton, which Amber forcefield does
it concern (parm94, 98, ..) ? Or will it be generally applicable to
any set of Amber parameters ?

Cheers,
  Marc


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 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
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