AMBER Archive (2002)

Subject: seperate_solute_output

From: Mirjam Lerch (mlerch_at_pharma.ethz.ch)
Date: Fri Jan 11 2002 - 03:02:31 CST

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Dear amber user,

I want to do a minimization of a structure in explicite solvent with NMR
restraints. Is there a possibility to have a seperate output (energy...)
for solvent and solute interactions, respectively? I want to be sure, that
I minimize the structure and not only the solvent.

Thank you

Mirjam

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