Dear Amber Users
I have fundamental questions about
Amber output file format. During energy minimization with iGb, there
are two components of electrostatic energy, EEL and 1-4 EEL. In order
to get the net electrostatic energy, do I need to add them?
Besides this, is there any tutorial
which explains every detail of output format, such as ESURF, EELEC,
EHBOND, EKCMT, VIRIAL, EAMBER, etc?
Thank you.
TJ
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Received on Mon Apr 04 2011 - 08:00:05 PDT
