Dear all,
in the present version of cpptraj, there exists the possibility to
compute a linear interaction energy between two entities in a very
convenient way. The lie command then gives vdW and electrostatic
contributions.
In the AmberTools manuals, however, there is no further literature
reference. Does lie use the normal Amber energy function (with the
parameter set present in the top file) to compute the vdW energy?
What would be the recommended citation for this feature?
Just a reference to the AmberTools?
Thanks in advance!
Best regards,
Anselm
Bioinformatik
Friedrich-Alexander-Universität
Erlangen-Nürnberg
Germany
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Received on Tue Feb 04 2014 - 05:30:03 PST
