Hi all I have just been stuck on this very problem of user defined potentials. When I emailed this list I was asked if I could make notes on the solution as this is a problem that seems to come up a lot. Anyway, I will send the notes to you separately Sikandar and would ask if anyone knows where should put/send them if they are to be accessible to the user community?
Many thanks Gareth On Sun, Apr 4, 2010 at 3:47 AM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Sikandar Mashayak wrote: > >> Hi >> >> I plan to do 'fluid in channel' simulations using GROMACS 4.0.7. For that >> I need to use custom potential field parameters for fluid-fluid and >> fluid-wall interactions. >> >> So my question is that, how can I use potential table approach to specify >> fluid-fluid and fluid-wall interactions seperately? >> >> > Start with the manual, section 6.7.2, and see the table*.xvg in the > /share/top subdirectory of your Gromacs installation for examples. > > -Justin > > Thanks >> sikandar >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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/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/mailing_lists/users.php >
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