[AMBER] How to get Inherent structure (Minimization energy)

From: Zafar,Muhammad Saqlain via AMBER <amber.ambermd.org>
Date: Tue, 19 Sep 2023 20:23:26 +0000

Dear Amber Community,

I want to get inherent structure after doing my NPT, on trajactory npt.nc file.

i want to know is steepest descent method is ok to get inherent structure or anyother algorithm i have to use for it ?

Regards
Saqlain
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Received on Tue Sep 19 2023 - 13:30:02 PDT