[gmx-users] AMBER (parm96) force field & hydrogen/termini database
baaden at smplinux.de
Thu May 2 13:42:50 CEST 2002
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
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 ?
Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
mailto:baaden at smplinux.de - ICQ# 11466242 - http://www.marc-baaden.de
FAX/Voice +49 697912 39550 - Tel: +44 1865 275380 or +33 609 843217
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