[gmx-users] Analaysis

‪Mohammad Roostaie‬ ‪ mohammad.r0325 at yahoo.com
Sun Dec 11 07:03:44 CET 2016

Hi Gromacs users,
I want to obtain the percentage of helicity of a peptide with respect to time after the simulation, how can I get it? I used the "gmx helix" and "gmx do_dssp" commands, but I could not get it.
In addition, I want to get the number of clusters and contact area of two particles with respect to time, and I used "gmx clustsize" and "gmx mindist" commands, but I still cannot get these factors. can you please help me figure this out?
Thank you,Mohammad


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