[gmx-users] Regarding grid spacing
apramita.chand at gmail.com
Sat Jul 1 19:20:16 CEST 2017
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??
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