[AMBER] CHARMM 3 extra energy terms in AMBER dynamic engines (SANDER&PMEMD)

From: Lod King <lodking407.gmail.com>
Date: Wed, 21 Aug 2019 20:52:39 -0700

Hi Amber

Can someone guide/explain to me how the SANDER or PMEMD engine works for
CHARMM force field (with additional UB, improper and CMAP energy terms)?
via CHAMBER or SANDER's and PMEMD's code in AMBER protocol?

I read this paper and AMBER manual, but still don't fully understand
CHAMBER: Comprehensive Support for CHARMM Force Fields Within the AMBER
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Received on Wed Aug 21 2019 - 21:00:02 PDT
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