[AMBER] GBNSR6 with MMPBSA.py

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From: Jose Manuel Granadino Roldán <jmroldan.ujaen.es>
Date: Tue, 8 May 2018 11:08:38 +0200

   Dear Amber users/developers,

  After reading the recent article by by S. Izadi et al. (J. Chem. Theory Comput. 2018, 14, 1656−1670) I am very interested in using the GBNSR6 method for my MMGBSA calculations. However, as suggests the manual, it seems that this option is only available for MMBSA.pl and not the recommended MMPBSA.py program. Am I right? If so, is there any way to use that option with MMPBSA.py?

  Many thanks in advance

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Received on Tue May 08 2018 - 02:30:03 PDT