Dear justin , i regret inconvenience in the previous mail Instead of taking PDB based on g_dist over all frames Can i choose various .gro files for doing umbrella sampling based on the pullf.xvg . file
In that file plot of force Vs time is available. i am selecting the PDBs from near maxima of force time profile curve to time of major structural change . in my case Example ( 120ps to 380ps) can i use those PDBs for Umbrella sampling othewise should i not consider time for umbrella sampling? I am expecting your valuable reply Thanks in Advance
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