Hi I have installed the new version of gromacs and so far I only use it as a check when running grompp as it gnerates more information about cut off charge group radii etc. For a system of 256 hexane molecules in a cubic box I get the following error.
WARNING 1 [file pbc.mdp]: The sum of the two largest charge group radii (5.231524) is larger than rlist (1.700000) This doesn't even make sense since my as system itself fits in a 3.2 nm cubic box. I am pretty sure my topology is correct. I have seen on the mailing list that there have been problems with this but they have all been for bigger molecules. Gavin -- 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
