[gmx-users] fourier_nx and stuff
abil4616 at yahoo.co.uk
Mon Dec 6 17:55:39 CET 2004
i have a box of protein and water sized 4.5 x 4.5 x 18
nm. Would fourier_nx=fourier_ny=5 and fourier_nz=20 be
reasonable with pme_order=6 for this box size?
with gromos-96 ff and pme, do we have to use
r(vdw)=1.4nm, r(coul)=r(list)=0.9nm OR all three r's
0.9 nm and vdw-type=cut-off would suffice?
thank you in advance for your help.
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