[AMBER] Implicit solvent TI calculations with soft core potentials

From: Srinivasaraghavan KANNAN <ragav.journals.googlemail.com>
Date: Mon, 18 Jun 2018 12:11:54 +0800

Hi,

Does the pmemd (CPU version) of AMBER14/16/18 supports Thermodynamic
Integration (TI) calculations in Implicit Solvent with softcore potentials ?


Thanks

Ragav



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Received on Sun Jun 17 2018 - 21:30:03 PDT