[AMBER] Osmotic Pressure Calculation in AMBER

From: Xiaocong Wang <wangxiaocong.outlook.com>
Date: Wed, 5 Jul 2017 03:27:17 +0000

Dear AMBER developers and users,


I am a developer of GLYCAM force field. I want to calculate osmotic pressure of carbohydrate molecules described by GLYCAM force field, in order to examine and improve our non-bonded parameters.


Calculations of osmotic pressure in recent literature are all performed in CHARMM and GROMACS. Maybe I missed something. Does anyone know how to do osmotic pressure calculation in AMBER?


Thank you very much in advance!


Best regards,


Xiao
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Received on Tue Jul 04 2017 - 20:30:02 PDT
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