Thank you for the advice Jianguo. This seems like a good way forward. I was hoping not to have to learn how to use new software, but perhaps it is time.
Thank you, Chris. -- original message -- Hi Chris, Perhaps you can try PLUMED+GROMACS. In that case, you can define a collective variable as mindist between the water molecules and the lipid tails. And then apply wall potential to keep this CV above a certain value. Jianguo ________________________________ Dear users: I am interested in running simulations of lipid bilayers in which I keep all water molecules out of the bilayer core(not just statistically, but absolutely). However, I have been unable to figure out how to do it. I'll list what I have tried in the hope that others have some ideas or even perhaps know how to do this with standard gromacs. ... -- 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
