[AMBER] Regarding GIST analysis

From: MR. RABINDRANATH PAUL <rabi1993.iitg.ac.in>
Date: Tue, 22 Oct 2019 07:11:44 +0000

Dear all,
            In GIST analysis, one dx file contain data equal to number of voxels or number of grids.
But, how can I get these thermodynamic properties along with simulation time (suppose I want to plot translational entropy vs simulation time)?
Thanks in advance.

With regards

Rabindranath Paul,

Senior Research Fellow,

Department of Chemistry,

Indian Institute of Technology Guwahati.
AMBER mailing list
Received on Tue Oct 22 2019 - 00:30:02 PDT
Custom Search