[AMBER] Regarding lie command- linear interaction energy

From: Jenny 148 via AMBER <amber.ambermd.org>
Date: Wed, 1 Nov 2023 14:33:46 +0530

Dear all,

If one of the aromatic ring of my ligand is stacking over a DNA duplex,
will it be appropriate to show the vdw contribution from this stacking
interaction using the lie command wherein the centroid of the aromatic part
of the ligand and the base are used as the masks?


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Received on Wed Nov 01 2023 - 02:30:02 PDT
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