[gmx-users] How to analyse the results of MD

rekkha nivethitha rnnive at gmail.com
Fri Sep 3 13:30:18 CEST 2010


I have performed molecular dynamics simulation of protein-protein complex.

How to interpret the results of potential energy, kinetic energy, total
energy, temperature,
RMSD, rmsf, radius of gyration.

I got the graphs for the above said parameters in xmgrace..
I need to interpret the graph.
Can u help me..

Looking for your valuable reply.

Thank u.
S.T.B. Rekkha Nivethitha
MPhil, Department of Bioinformatics,
Structural Biology Lab,
Bharathiar University,
Coimbatore - 46.
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