[gmx-users] charge group radii- use maxwarn or increase rlist?

[Moeed]

Dear experts,

Please kindly comment on this error. Thank you very much.

I am getting the known charge group radii error. (in 4.0.7 version with the
same settings my simulations run with no error)

==========================
NOTE 1 [file md.mdp]:
  The sum of the two largest charge group radii (0.205676) is larger than
  rlist (1.100000) - rvdw (1.000000)

There was 1 note
. . .

turning all bonds into constraints...
turning all bonds into constraints...
Largest charge group radii for Van der Waals: 0.103, 0.103 nm
This run will generate roughly 317 Mb of data

===================================

This error has been discussed several times on the archive after release of
4.5.3. Please note that my charge groups are CH3 and CH2 only! . To treat
this error I dont know If I need to increase rlist (as suggested in the
first link below) or use maxwarn -1 ( second link). How can I diagnose which
one to choose?

http://lists.gromacs.org/pipermail/gmx-users/2011-January/057830.html

http://lists.gromacs.org/pipermail/gmx-users/2011-January/057980.html

==================================================
charge groups of solute:

     1   opls_135      1   EthB     C1      1          0     12.011   ; qtot
0
     2   opls_140      1   EthB    H11      1          0      1.008   ; qtot
0
     3   opls_140      1   EthB    H12      1          0      1.008   ; qtot
0
     4   opls_140      1   EthB    H13      1          0      1.008   ; qtot
0
     5   opls_136      1   EthB     C2      2          0     12.011   ; qtot
0
     6   opls_140      1   EthB    H21      2          0      1.008   ; qtot
0
     7   opls_140      1   EthB    H22      2          0      1.008   ; qtot
0
     8   opls_136      1   EthB     C3      3          0     12.011   ; qtot
0
     9   opls_140      1   EthB    H31      3          0      1.008   ; qtot
0
    10   opls_140      1   EthB    H32      3          0      1.008   ; qtot
0
    11   opls_136      1   EthB     C4      4          0     12.011   ; qtot
0
    12   opls_140      1   EthB    H41      4          0      1.008   ; qtot
0
    13   opls_140      1   EthB    H42      4          0      1.008   ; qtot
0

==================================

Thanks
moeed
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