NAMD and usable FFs

From: Francesco Pietra (
Date: Wed Oct 15 2014 - 04:34:31 CDT

It is not clear to the general - mostly experimental - user, which CHARMM
FFs for proteins, metalloproteins, and organic ligands are compatible with
NAMD 2.10.

For example, with namd2.10 I currently use toppar_all22_prot_heme.str for
dioxygen in combination with top_all27 and par_all27 for the protein. Could
I use a more recent version of CHARMM FF with that toppar? This is just an
example, a general table of compatibility would be most welcome, especially
in view of using CGenFF.

francesco pietra

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