<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Hi everyone. I'm having some trouble using g_wham to analyze some results. I have some simulations from gromacs 3.3 using the pull code. I'm using the latest version of g_wham to analyze the results, which the help file says is ok, using the -ip option. <div><br></div><div>I've gotten almost everything to work, and it generates histograms that seem perfectly reasonable, but sometimes the free energy it outputs is completely flat, with each bin having a free energy value of 0.<div><br></div><div>I've played around with the -b and -e options using only part of my data, and sometimes it gives non-flat free energies, other times not. I see no logic to when it works and when it doesn't. My data does have good overlap of the histograms, and it sometimes converges even when I use data that have no overlaps, so that doesn't seem to
be the problem.</div><div><br></div><div>I'm completely confused. Does anyone know what could cause this?</div></div></td></tr></table><br>