[gmx-users] umbrella sampling

[Qian Wang]

Hi,
 
I am using Gromacs 4.0.5 for umbrella sampling. I know that I can use g_wham to calculate the free energy along the constrained distance. Is there a command in Gromacs 4.0.5 that can calculates the average of any other obserble (for example, potential energy) along the constrained distance? Thanks a lot.
 
Sincerely,
Qian
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