[gmx-users] npt simulation error

[Mohammad Zahidul Hossain Khan]

; Dielectric constant (DC) for cut-off or DC of reaction field =
epsilon-r                = 4


On Tue, Aug 15, 2017 at 6:18 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 8/15/17 9:14 PM, Mohammad Zahidul Hossain Khan wrote:
>
>> Dear Sir
>>
>> I am trying to simulate protein_ligand complex using epsilon = 4 and it is
>> giving the below error
>>
>>
> What is epsilon = 4?
>
> *2 particles communicated to PME rank 4 are more than 2/3 times the cut-off
>> out of the domain decomposition cell of their charge group in dimension x*
>>
>> I have no idea how to solve this problem
>>
>>
> Have you Googled it, or gone to the GROMACS error page, where lots of
> advice lives? ;)
>
> -Justin
>
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-- 


*Mohammad Zahidul Hossain Khan Graduate student**Department of Physics*
*Email: khan5121 at vandals.uidaho.edu <khan5121 at vandals.uidaho.edu>*
* Skype: parash.khan2*
*Cell: +12085967165*