No. This is a statistical mechanical issue, not a GROMACS issue. For interacting systems, entropy is a quantity describing the system as a whole, and cannot be defined for different parts of the system, at least not in any way such that the individual components can be added together.
I'm also not certain the md.edr file will give the entropy of the system . . . On Thu, Jul 4, 2013 at 2:28 PM, Albert <mailmd2...@gmail.com> wrote: > Hello : > > I've got a question about the the entropy. As we all know that in the > md.edr file it will give us the entropy value of the system along the > simulations. > > However, my system is a protein/membrane system, and I am only would like to > make statics for the protein/water related entropy. I am just wondering, is > it possible to do this? > > thank you very much > > Albert > -- > 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 -- 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
