[gmx-users] Full implementation of CHARMM and AMBER in GROMACS?

DimitryASuplatov genesup at gmail.com
Tue Apr 28 21:38:02 CEST 2009


I was jut curious,
are there any plans to fully implement any other FF in gromacs.
Particulary Im interested in CHARMM and AMBER. By full implementation
of CHARMM I mean not simply taking the numbers from the CHARMM text
file but calculating CHARMM-specific issues, like Urey-Bradley
interactions, 1-4 LJ etc. And what is your opinion about CHARMM - is
it any good vs OPLS (considering proteins)?

Thanks a lot.

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