[gmx-users] Question about analysis

[Lakhani, Ahmed Ashiqali]

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