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)
--
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
