On Tue, Jul 31, 2012, Anna Tarakanova wrote:
> I am interested in creating amber parameter and coordinate files for use in
> OpenMM that fully describe the implicit solvent parameters of the CHARMM19
> force-field. Is it possible to do this with chamber, or another function in
> AMBERTOOLS? It seems that chamber accepts as input the CHARMM19 parameter
> and topology files, but I cannot specify the implicit solvent explicitly
> (defined in the CHARMM solvpar.inp file).
Amber does not support the CHARMM implicit solvent models, so the CHARMM
parameters cannot be "translated". There are some models (such as GB and PB)
that are similar in CHARMM and Amber, but you would have to do a manual
conversion. Basically, if you want the CHARMM implicit solvent models, you
need to run CHARMM.
....dac
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Received on Tue Jul 31 2012 - 15:00:03 PDT
