[gmx-users] Determining the cut offs more than half of the box

[Iman Ahmadabadi]

Dear Mr.Mark Abraham,

Thank you for your help.
Because of the accuracy of the results, I should use a reasonable cut offs
for the interactions around 2.0 nm. The cut offs less than 1.0 nm are too
small for my project because of the importance of long range interactions.
The box size is an obstacle to determining the desired cut off for
interactions.

Best regards

On Sun, Nov 19, 2017 at 11:47 AM, Iman Ahmadabadi <
imanahmadabadi75 at gmail.com> wrote:

> Dear Mr.Mark Abraham,
>
> Thank you for your help.
> Because of the accuracy of the results, I should use a reasonable cut offs
> for the interactions around 2.0 nm. The cut offs less than 1.0 nm are too
> small for my project because of the importance of long range interactions.
> The box size is an obstacle to determining the desired cut off for
> interactions.
>
> Best regards
>
> On Sat, Nov 18, 2017 at 8:37 PM, Iman Ahmadabadi <
> imanahmadabadi75 at gmail.com> wrote:
>
>> Dear Gromacs Users,
>>
>> I need to determine the 2.0 nm for VDW and Coulombic cut offs for my box
>> that its height along z direction is too small (for example 2.0 nm)  but
>> the error will arise for me and I couldn't use the cut off more than 1.0 nm
>> because of the box size. What should I do in this regard?
>>
>> Best,
>>
>>
>>
>