[gmx-users] Analysis program g_wham

Kevin C Chan cchan2242-c at my.cityu.edu.hk
Wed Nov 19 18:02:54 CET 2014

Dear Users,

I am trying to use umbrella sampling results from NAMD to compute PMF versus distance using g_wham. However as I would not have the corresponding tpr files, I plan to stick to the -ip option. However I am not sure about the exact format of pdo file. Does anyone have experience on this?

Thanks in advance,

ukevi at gmx.hk

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