[gmx-users] Zero Potential of Mean Force with g_wham

chris.neale at utoronto.ca chris.neale at utoronto.ca
Thu Mar 10 08:08:00 CET 2011

g_wham is not the only version of wham. Try using alan grossfield's  
version. Too often, I am afraid, gromacs accessory programs get broken  
in an update (not sure what the general solution is here beyond  
renewed calls for a proper test suite. Perhaps having 20+ programs is  
not ideal for a single software suite where the real focus is only on  
mdrun and grompp?)


-- original message --


I ran  g_wham 4.5.2 and did get a non-zero PMF curve.
I assume that there is something going on with g_wham on version 4.5.1.

Thank you for your help.


On Wed, Mar 9, 2011 at 3:00 PM, Mark Abraham <Mark.Abraham at  

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