[gmx-users] too much warnings and notes

[Carsten Kutzner]

Hi,

On Oct 29, 2012, at 3:57 PM, Albert <mailmd2011 at gmail.com> 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    gmx-users at 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-request at gromacs.org.
> * 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