AMBER Archive (2006)

Subject: AMBER: Re: Force Decomposition for MTS in AMBER 8.

From: David Case (case_at_scripps.edu)
Date: Fri Feb 03 2006 - 00:34:23 CST

On Thu, Feb 02, 2006, Lao_3 wrote:

> Does anyone know how the forces are decomposed for MTS
> in AMBER 8? or which paper is referred to?

All valence terms and the "direct" part of the nonbonded forces are
computed at every step. The "reciprocal" part of the PME forces are
evaluated less frequently and are used as impulses for multiple time step
calculations.

....dac

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