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

Mark Abraham mark.j.abraham at gmail.com
Sun Nov 19 01:02:40 CET 2017


I don't understand what you think you want long cutoffs for. They are baked
into the force field and you should not change those without reason to
believe it already works.


On Sat, 18 Nov 2017 18:08 Iman Ahmadabadi <imanahmadabadi75 at gmail.com>

> 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,
> --
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