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
