AMBER Archive (2008)Subject: AMBER: TI: perturbation method
From: fatima.chami_at_durham.ac.uk
Date: Mon Mar 31 2008 - 03:40:40 CDT
Dear Amber users,
I need to know which command is used to perturbe the partial charges of a
molecular structure in 'tleap' in order to calculate the free energy.
best wishes
Fatima
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