Soumya Mondal
Soumya Mondal
Thanks, sir for your suggestion. I have checked all of my COLVAR files. Each window is nicely overlapped. I have a small doubt. When I used 10 or 20 bootstrapping...
Yes sir I observed the same trend. After certain BT steps the errors are not changing. But in Grossfield's code bootstrapping broke because the very high free energies caused underflows...
!/bin/bash RAY="dna_nvt.gro" # starting coords TOP="../dna_amber.top" # Amber prmtop or GROMACS .top TRAJ="x_dna_major.xtc" # trajectory cpptraj $TOP
@drroe can you please help?
Thanks @drroe for your message. I did not face any issues while running the code. I got BPstep.NA file after running the code. In this file, I have major and...
@drroe sir. I hope you are doing well. Can you please respond?
Sir, I think cpptraj does not treat the assignment of groove width to base-pair steps in a proper way. I'm looking for the following analysis
@MaciejMajew @stefdoerr @AdriaPerezCulubret sir, would you like to comment on it?