[AMBER] Checking Sander energy values

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Wed, 31 Jul 2013 09:15:15 +0200

Dear Amber Users,

Is there any way/program for checking/decomposing the energy values
generated by Sander?

For instance I am interested in looking at energy values bond by bond,
angle by angle and dihedral by dihedral.
Is there any debugging mode in Sander, which would allow studying that?

Before the 'Anal' program could be used; but my understanding is that
is that Anal is compatible with 'plep' and not with 'LEaP'.

thank you

regards, Francois

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Received on Wed Jul 31 2013 - 00:30:02 PDT
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