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 > > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
