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?)

Chris.

-- original message --

Hi,

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.

Susana

On Wed, Mar 9, 2011 at 3:00 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:


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