Dear group, I am not sure how SPC energy actually works - is there really just one VdW interaction - just between two oxygen atoms?
If so, when I place a hydrogen atom of one water molecule at the location of the oxygen from another water, the two oxygens are separated by the distance of H-O bond length i.e. 1.0A. The only VdW interaction is repulsive but finite (and equal ~4E6) but the electrostatic between H and O is -Inf = 1/0.0 What's wrong? Tim -- View this message in context: http://gromacs.5086.x6.nabble.com/Specific-question-regarding-SPC-water-model-tp5008757.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
