Hi, with "interaction diameter" I mean the following:
I have two spheres with a radii of 2.5 angstrom. The spheres should not overlap. >From that, I derive my 'interaction diameter'/'interaction distance' 5 angstrom. Now, the 5 angstroms should be the \sigma in the following formulas > c^6 = 4 \epsilon \sigma^6 > c^12 = 4 \epsilon \sigma^12 Is it so? Best, grita -- View this message in context: http://gromacs.5086.x6.nabble.com/what-is-sigma-in-gromacs-the-radius-of-a-sphere-or-the-diameter-of-a-sphere-tp5010517p5010523.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
