On 31 Dec, 2011, at 21:50, Saeid Akbarshahi wrote: > Whether there is a program in Gromacs that would directly or indirectly > obtained the flux of water ? > > How to obtain the flux water in Gromacs ?
A (long) while back I wrote g_count and g_flux, which are primarily useful for looking at flux through pores and channels. https://github.com/orbeckst/g_count However, the code probably needs to be updated to properly work with the latest Gromacs releases. If you use it then please check carefully that the results are what you expect them to be (e.g. based on visual inspection). Feel free to report problems and fixes/patches through the Issue tracker https://github.com/orbeckst/g_count/issues . Cheers, Oliver -- Oliver Beckstein * oliver.beckst...@asu.edu http://physics.asu.edu/home/people/faculty/oliver-beckstein Arizona State University Department of Physics Tempe, AZ 85287-1504 USA -- 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
