Re: [AMBER] AMBER: the units of the physical quantities

From: case <case.biomaps.rutgers.edu>
Date: Sat, 21 Sep 2013 09:12:55 -0400

On Sat, Sep 21, 2013, hustgt08 wrote:
>
> I recently need to know the units (not International System of Units) of
> the physical quantities involved in amber codes, such as atomic mass,
> steptime, force, potential energy, acceleration, and velocity., in order
> to accurately derive the conversion between them. Could somebody help
> me?

Internal units in amber have masses in amu, energies in kcal/mol, distances in
Angstroms. This implies unfamiliar units for charges and times. See:

  http://ambermd.org/Questions/units.html

...dac


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Received on Sat Sep 21 2013 - 06:30:04 PDT
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