[gmx-users] Which content is in gmx wham -hist output file?
변진영
byunjy0614 at gmail.com
Fri Jan 10 09:25:03 CET 2020
Dear All,
I have tried to run umbrella sampling with GROMACS.
When I tried to analyze the umbrella sampling MD simulation result, I used the module, gmx wham so that I got the result file named ‘histo.xvg’ .
What I wonder is what does columns mean except the 1st. column(I know the 1st. column is reaction coordinate.)
I think that roughly the other columns except the 1st. Columns mean the counts or probability for each reaction coordinate, but I don’t know what the columns suggested in detail.
Do you know what they are????
Thank you
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