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Questions related from Sam Mohel
In the step of RMSD calculation using VMD, I have two gro file : one is energy minimized (em.gro) before I stared the remd simulation and another output file.gro which was generated after...
27 February 2022 5,262 4 View
I need to confirm the convergence of REMD simulation within 200 ns per replica so how can I calculate RMSD values with their corresponding free energy in equal-length non-overlapping time windows...
23 February 2022 9,870 1 View
I need to find the converged conformational sampling within 200 ns per replica between RMSD and free energy in equal non-overlapping time windows like in the following graph?
21 February 2022 4,949 2 View