[AMBER] smooth soft core potentials

From: Debarati DasGupta <debarati_dasgupta.hotmail.com>
Date: Thu, 23 Jul 2020 20:26:32 +0000

Hello everyone,
How to invoke these parameters in TI free energy calculations in AMBER20?
The authors say its implemented in AMBER20...
Any help will be super useful.
Regards

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00237


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Received on Thu Jul 23 2020 - 13:30:03 PDT