[AMBER] Query related to the Umbrella sampling method

From: Saikat Pal <saikatpaliitg.yahoo.com>
Date: Wed, 9 May 2018 06:00:50 +0000 (UTC)

Dear Amber Users,

I want to run a system using umbrella sampling method to calculate PMF energy. I want to calculate the unfolding energy of the protein which placed in protein or hydrophobic nanopore. My queries are:
1) Is any effect of protein or hydrophobic nanopore to calculate the PMF energy??
2)Is there any role of solvent to calculate the PMF energy ??(Actually I want to run different solvent medium also)

Please help me.


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Received on Tue May 08 2018 - 23:30:03 PDT
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