[gmx-users] Analysis
RAHUL SURESH
drrahulsuresh at gmail.com
Thu Jun 1 15:35:30 CEST 2017
I have few doubts in MD analysis.
*How to calculate the deviation angle between two helix of a protein? (for
every ns) or in other words how can I know whether the two helices
(consecutive)
have moved apart during simulation?
*In saltbridge analysis how can I eliminate CL and NA ions? (Before the
analysis)
PS:- Its Protein-Ligand complex simulated for 100ns.
--
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*
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