<div dir="ltr">Hello,<br><br>I have done umbrella sampling for 10ns on 23 windows and g_wham program shows converged histograms and PMF curve. I used the following g_wham command,<br><br><span style="font-size:12.0pt;line-height:115%;font-family:"Times New Roman","serif"">g_wham -it tpr-files.dat -if pullf-files.dat -unit
kCal -o profile.xvg -hist histo.xvg -b 1000 -e 10000<br><br>I considered first 1ns simulation as equilibration. when I change the -b from 1000 to 1500, 2000... I can still get converged PMF curve but the PMF convergence is achieved at different places, for eg, when I increase -b the PMF converges at -18, -17, -16. and g_wham do not show any warning for poor sampling. Is there any problem with the sampling windows when I increase the -b? or simply we can select the PMF curve as obtained wtih "-b 1000"?<br>
<br>Regards,<br>Vijay.<br></span>
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