[gmx-users] Analysis program g_wham

[Kevin C Chan]

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,

Kevin
ukevi at gmx.hk