> Dear Chris, > 牋營 use g_wham to calculate PMF.g_wham -if > pullf-files.dat -it tpr-files.dat -b 500 -unit kT -temp 300 > -o -hist > g_dist -f pull.xtc -s pull.tpr -n > index.ndx -o dist.xvg,first I select the reference > group,then pull group > Zhongjin He > > >
<<attachment: umbrella potential.jpg>>
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