[gmx-users] Grid Spacing

Apramita Chand apramita.chand at gmail.com
Mon Jul 3 07:34:58 CEST 2017

Dear All,
Which is more appropriate fourier grid spacing for gromos53a6 ff with
cutoffs being 0.9 and 1.4nm?
0.16 or 0.12??
I've not seen too many papers with 0.16 being used for this forcefield and
that too with cutoffs like 1.0 for rcoulomb and rvdw.

Is there any problem if I use fourier spacing of 0.16 with these

Also,should the grid spacing be same for equilibration and production runs??

Yours sincerely,

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