[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


More information about the gromacs.org_gmx-users mailing list