[gmx-users] too much warnings and notes

Albert mailmd2011 at gmail.com
Mon Oct 29 15:57:13 CET 2012


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)






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