Re: [AMBER] source code to calculate electrostatic interaction in amber6

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Mon, 12 Jul 2010 13:41:58 -0700

> I want to check the source code to calculate the electrostatic
> interaction (Not using PME method) in amber6 but I do not know
> which code to check.

Noting the mdout contains labels for electrostatics, say 'EEL',
you could try

% grep EEL *.f

and work backward from there.


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Received on Mon Jul 12 2010 - 14:00:04 PDT
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