> In reality, what we should do is make it a fatal error, because truly, > frozen groups should be used very sparingly and certainly never with NPT. > It just doesn't make sense. I understand what you're trying to accomplish, > but the underlying theory becomes flawed.
Agreed Mark -- 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
