[gmx-users] work in 4.5.5 but failed in 4.6.1

[Albert]

On 08/28/2013 07:07 PM, Justin Lemkul wrote:
>> WARNING 2 [file helix.itp, line 1]:
>>    Too few parameters on line (source file toppush.c, line 1501)
>
> Looks concerning - what's line 1?
here is the initial lines:

; position restraints for part of C-alpha of Protein

[ position_restraints ]
;  i funct       fcx        fcy        fcz
    5    1        300        300        300
   24    1        300        300        300



>
>> WARNING 3 [file md.mdp]:
>>    The sum of the two largest charge group radii (13.715767) is 
>> larger than
>>    rlist (1.000000)
>>
>
> How big is your box?  This may very well be a simple periodicity issue.
>
> http://www.gromacs.org/Documentation/Errors#The_sum_of_the_two_largest_charge_group_radii_(X)_is_larger_than.c2.a0rlist_-_rvdw.2frcoulomb 
>
>
> -Justin 

I've see this informations from gromacs website. my box is:

    6.96418   6.96418   9.77176

in the last line of my input .gro file.

I don't understand, why this warning not appear in 4.6.3, but failed in 
4.5.5....

thank you very much

Albert