burisch at bph.ruhr-uni-bochum.de
Wed May 19 14:41:28 CEST 2004
Peter Zoon wrote:
> I think the only way to that is by manually editing the atomtypres in
> your .top file.
The atom types aren't the problem but the manual conversion of
bonds/angles/dihedrals to G96 types. IMHO this may be intricate in
some cases. I guess it would be very nice to have a G96 topology
automatically generated by PRODRG, the GMX force field seems to be
considered rather outdated even by the Gromacs crew themselves.
PS: Daan, I hope this wish does not sound too demanding ;-).
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