[gmx-users] Non integral charges

[Kavyashree M]

Thank you Sir!

With Regards
MKS

On Mon, Jan 17, 2011 at 5:37 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> Kavyashree M wrote:
>
>> Dear gromacs users,
>>
>> while using grompp I got a message :
>>
>> " System has non-zero total charge: -9.999998e-01"
>>
>> This is non integral charges. What should I add using genion?
>> +1 charge? Why am I getting such non integral charges?
>>
>
> Please see FAQ #30.
>
> http://www.gromacs.org/Documentation/FAQs
>
> -Justin
>
>
>  I also checked for any breakage in the chain and found no such
>> ends.
>>
>> Kindly suggest
>>
>> With Regards
>> MKS
>>
>>
>>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
>
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