[AMBER] save Hessian nmode mmpbsa

From: Bruno Falcone <brunofalcone.qo.fcen.uba.ar>
Date: Wed, 3 Aug 2016 13:51:23 -0300

Hi, I need to save the Hessian that is obtained during the nmode
calculation in MMPBSA.py, to use it in a further calculation.

Could you let me know how I can achieve that? What necessary
modifications should I make to the code?

Thanks!

Bruno


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Received on Wed Aug 03 2016 - 10:00:02 PDT