[gmx-users] Gromacs 4 cannot reach Fmax in energy minimisation when version 3 did

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 21 12:54:21 CET 2011

Gavin Melaugh wrote:
> Dear All
> Can someone please tell me how to generated the plot of mean force
> having ran the pull code at several distances using constraints?

Would the mean force not simply be the average value found in pullf.xvg?


> Gavin


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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