AMBER Archive (2004)

Subject: AMBER: Enthalpy of solvent-solute vanderWaals

From: Scott (spendley_at_uofu.net)
Date: Wed Jul 14 2004 - 14:56:45 CDT

I am wondering if anyone can provide me with a script for calculating
the enthalpy of solvent-solute vanderWaals energetics. I thought this
might be accomplished through the use of 'idecomp=1' term in mm-pbsa and
then using RRES and LRES but I cannot find any documentation of the use
of RRES and LRES. Thank you.

Scott

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