[AMBER] Implicit solvent TI calculations with soft core potentials

From: Srinivasaraghavan KANNAN <ragav.journals.googlemail.com>
Date: Tue, 19 Jun 2018 10:51:13 +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 Mon Jun 18 2018 - 20:00:02 PDT