Sorry forgot to attach the files > Hi Chris > > Sorry for the delay. Please find attached a plot of distance between the > centres of mass of two molecules (also scatter) using umbrella sampling > at a distance of 2.35 nm. As I said before the g_wham program gives me > back a histogram with two peaks. I can see from the scatter plot why > this is the case as there are higher concentrations of point at the > extremities. What I don't understand is why this behaviour occurs above > 2nm and not below. I have set all cut-offs to zero and am using no pbc. > > Cheers > > Gavin > > chris.ne...@utoronto.ca wrote: > >> Your language was not rude, but I did get frustrated after twice >> asking you to perform an analysis and twice being ignored. My advice >> still stands: plot the deviation vs. time and report back to the list. >> >> Chris. >> >> -- original message -- >> >> Cheers and thanks for the suggestions. >> >> P.S. I hope you don't think that the previous msg was in anyway rude. It >> was actually a genuine question :) >> >> Cheers >> >> GAvin >> >> >> > >
d_vs_t.ps
Description: PostScript document
scatter.ps
Description: PostScript document
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