Hii;
I want to monitor SSE over time for my protein-ligand system. Just for
confirmation can anyone please let me know if the attached script is
correct to generate a SSE over time. If not please suggest a correct script
inside secstruct.ptrj
*trajin md50.mdcrd*
*secstruct out x time 1 :1-198*
*execution ~/amber12/bin/cpptraj com_solvated.top secstruct.ptrj*
*I want to calculate evaluation of secondary structure over the simulation
period.*
*Best;*
*S.Bhakat*
--
Thanks & Regards;
Soumendranath Bhakat
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Received on Fri May 23 2014 - 04:00:03 PDT
