Hello Gromacs users, The solution that ended up working is selecting a different pull_pbcatom0 from the reference group, the protein, such that the atom is approx. in the center of mass of the protein.
I hope that others may find this useful, Thanks to Martin Vesper and Justin Lemkul for their insights, Raphael On Tue, Sep 11, 2012 at 5:22 PM, Raphael Alhadeff < raphael.alhad...@mail.huji.ac.il> wrote: > Thank you all for your help, > > Sheeba- > Yes, I get both positive and negative results. I think what you describe > is what I would get if I used 'distance' for the geometry. > In any case, I have values from +2 to about -3, and they are not evenly > distributed (unlike the coordinates, which are more or less evenly > distributed) but are rather highly packed around -1 and then get > increasingly farther away from each other. > > Jianguo- > I did not see that thread before, I read it now but could not find > anything to solve my problem. > > Justin- > Thank you very much for your willingness to help, I will send the files > promptly. > > > Thanks again to everyone, I will post again should we find the problem and > solution for anyone who might find it useful.. > > Raphael > -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
