Hi, On Oct 29, 2012, at 3:57 PM, Albert <[email protected]> wrote:
> On 10/29/2012 03:56 PM, Carsten Kutzner wrote: >> Hi, >> >> find the reason for the warnings in your mdp file settings >> and adjust them accordingly. >> >> You can also override the warnings with the -maxwarn <number> >> option in grompp. >> >> Carsten > Hello Carsten: > > thanks for kind reply. > > the only thing I confused is the last one: > > NOTE 4 [file md.mdp]: > The sum of the two largest charge group radii (0.597592) is larger than > rlist (1.000000) - rvdw (1.200000) this is explained here: http://www.gromacs.org/Documentation/Errors http://www.gromacs.org/Documentation/Errors#The_sum_of_the_two_largest_charge_group_radii_(X)_is_larger_than.c2.a0rlist_-_rvdw.2frcoulomb Carsten > > > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Dr. Carsten Kutzner Max Planck Institute for Biophysical Chemistry Theoretical and Computational Biophysics Am Fassberg 11, 37077 Goettingen, Germany Tel. +49-551-2012313, Fax: +49-551-2012302 http://www.mpibpc.mpg.de/grubmueller/kutzner -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
