Dear Justin Very thanks for your reply.
> What you described earlier should not be attempted with "distance" > geometry. It won't work very well. The use of restraints is almost > NEVER necessary, especially in the case where the reference group > is much more massive than the pulling group. I want to calculate Potential of mean force as a function of the distance between the centers of mass of drug and the lipid bilayer. You said distance geometry won't work very well in my case. What is your better suggestion about my case? Best wishes -- gmx-users mailing list email@example.com 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