[gmx-users] segmentation fault after mdrun

Justin A. Lemkul jalemkul at vt.edu
Sat Feb 21 15:43:20 CET 2009

Mark Abraham wrote:

>> coulombtype              = Cut-off

In addition to everything Mark said, you should also *never* run a bilayer 
simulation with a simply cutoff scheme.  You will get terrible artefacts.  That 
goes for most other simulations too, but it has been demonstrated very recently 
for bilayers that one should always use PME.


> Mark
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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