[gmx-users] Question about analysis

Lakhani, Ahmed Ashiqali aalakhan at uic.edu
Wed Jun 22 05:32:15 CEST 2005

Hi all

General question to all the Gromacs user. I am doing a research on small
peptide and folding of peptide. I am using technique such as IR, VCD, CD
and Rama to measure the spectra. I am also doing Quantum mechanical
calculation to prove my experimental data with Theory. Question is what
kind of analysis I can do with Gromacs, which can allow me compare with
experimental results and theory. Any one has suggestion.

Ahmed Lakhani, Ph.D. Student
Department of Chemistry
University of Illinois
845 West Taylor St. (M/C 111) Chicago,
Illinois 60607-7061
Phone #: 1-312-996-2685
e-mail: aalakha at uic.edu

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