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
Mob:
8017650842
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Received on Mon Jan 18 2016 - 04:00:03 PST
