Hi Justin, yes, the LJ potential is zero when the two spheres are at a separation of 5 angstrom.
So, I can be sure, that in this case the \sigma in c^6 = 4 \epsilon \sigma^6 c^12 = 4 \epsilon \sigma^12 are the seperation or 'my interaction diameter / interaction distance'??? I've asked for this, because in other force fields there are different definitions of sigma. Sorry for the confusion. In short, the sigma is the separation or the 'diameter'. True or False ??? 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-tp5010517p5010526.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
