[gmx-users] Module for spectroscopy analysis

Justin Lemkul jalemkul at vt.edu
Mon Sep 11 13:57:22 CEST 2017

On 9/11/17 2:28 AM, Joel Awuah wrote:
> Hi gromacs user,
> I want to perform a spectroscopic analysis of amino acids. Is there any
> module in gromacs to help
> me with that.

Sounds more like a quantum mechanical question, so no, not really.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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