dear all; I am trying to run grompp command and I encounter this: ............................................................................. WARNING 1 [file topol.top, line 54]: The bond in molecule-type DNA_chain_A between atoms 1 H5T and 2 O5' has an estimated oscillational period of 9.0e-03 ps, which is less than 5 times the time step of 2.0e-03 ps. Maybe you forgot to change the constraints mdp option. ................................................................................ however when I use -maxwarn with grompp, it seems like that there is nothing wrong. Is it OK to continue the simulation with using maxwarn, or is there some thig wrong that needs to be modified?
Thank you in advance Banafsheh
-- 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
