<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; ">Hi,</div><div><font class="Apple-style-span" face="'times new roman', 'new york', times, serif" size="3"> I have done some steered MD simulation and I want to construct the potential of mean force from these pull-profile using Jarzinsky's </font><font class="Apple-style-span" face="'times new roman', 'new york', times, serif">inequality</font><font class="Apple-style-span" face="'times new roman', 'new york', times, serif" size="3">. I wanted to see whether, in updated version of gromacs, there is any implementation of extracting PMF from SMD simulations. </font></div><div><font class="Apple-style-span" face="'times new roman', 'new york', times, serif" size="3">If not, can anyone suggest some guidelines how to do
it.</font></div><div><font class="Apple-style-span" face="'times new roman', 'new york', times, serif" size="3">Sanku</font></div></div></body></html>