Hi gmx users, I'm writing a MD code and, comparing with gromacs, I have some doubts. When I put gen-pairs=yes, fudges=0.5 and no [pairs] or [pairtypes] directives, the program (gmx) would generate 1,4 pairs with the parameters described in the [atomtypes] directive, right? But, at the end of the simulation, I don't see any coul-1,4 or LJ1,4 energy values in the .log file. The 1,4 pairs were generated in this case?
Thanks. -- ----------------------------------------------------------- Robson da Silva mail: roolib...@gmail.com MSc. in Chemistry Universidade Federal de Santa Catarina - UFSC Department of Chemistry Campus Universitario CEP 88040-900 Florianópolis, Santa Catarina - Brazil. -- 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
