Dear all,
I have performed 200ns simulation for a protein and wants to plot a helicity
over simulation time.
After reading few queries, i have done do_dssp and obtained the scount.xvg
which has the all secondary structure as a function time.
I wonder, how do i only obtain the helicity over
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Yes i noticed them. Since i am not using MPI-enabled threats ( I use single PC
contains 24 threads with 1 GPU and OpenMP installed), the -multi command
doesn't work.
I wonder is there any other way without using MPI-enabled or should i have
reconfigure with MPI?
