[gmx-users] 1,4-interactions and pairs...again

f 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 Catar

[gmx-users] Lennard Jones + Buck'ham

Is there a way within GROMACS to use both Buckingham and Lennard-Jones potentials in the same simulation? Thanks. - ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gm

[gmx-users] [ pairs_nb ]

Hi, What's the use of the directive [ pairs_nb ]? I don't find anything in the manual. Thanks. ----- Robson da Silva mail: roolib...@gmail.com ___ gmx-users mailing listgmx-users@gromac