[gmx-users] pmf_calculation

shahid nayeem msnayeem at gmail.com
Tue Jul 5 13:25:37 CEST 2011

Dear Justin
I did pmf calculation for my protein-protein complex using your tutorial.Off
course changing the pull_direction suitable for my protein but more or less
following the same strategy. I am using gromacs_4.5.4 and g_wham utility.
The profile.xvg file which I get is attached and it shows two dips in PE
curve. Please see it and tell me why I am getting these dips.
Shahid Nayeem
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