On Mon, Aug 19, 2019, Hira Jabeen wrote:
>I intend to use CHARMM forcefield and then run MD simulation using
>AMBER18 with ambertools-19. I already have topology and parameter files
>generated with AMBER-16 force field.I now want to convert files according
>to CHARMM36 force field, is there any package/tool available?
I'm pretty sure that to use the CHARMM force field, you need to build
the system in CHARMM (or, say, in the CHARMM-GUI), then convert to Amber
(via the CHARMM-GUI or via the "chamber" action in parmed). There is no
way to directly access the CHARMM36 force field in, say, tleap.
[I'm relying on others on the list to correct this, if needed.]
....dac
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Received on Tue Aug 20 2019 - 19:30:04 PDT
