[AMBER] Need Help regarding Energy Calculation

From: Saikat Dutta chowdhury <pbr322.dutta.gmail.com>
Date: Mon, 18 Jan 2016 17:27:46 +0530

Dear Amber Users,

I have performed an explicit solvent simulation of a peptide molecule and
saved the resulting trajectory.
I want to calculate the energy of each conformations in the trajectory. For
that I consulted amber14 manual and found out that there is a way mentioned
in section 17.6.1. But I donot know how to calculate the energy without
considering the explicit water.

Could anyone suggest How to calculate energy of the conformations without
considering the explicit water environment

with regards,
Saikat Dutta Chowdhury
Email: pbr322.dutta.gmail.com
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Received on Mon Jan 18 2016 - 04:00:03 PST
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