TJ Mustard wrote:
Hi all,
I have been running alot of simulations on protein ligand interactions,
and my settings/setup/mdp files worked great for one system. Then when
we moved to a larger and more complicated system we started getting
mdrun segmentation faults during "steep" energy minimization. This
happens on our cluster and on our iMacs.
Any help would be appreciated. Also I can attach my mdp files.
There are a whole host of things that could be going wrong. Without
substantially more information, including even more (like a thorough description
of what these systems are and the exact commands of what worked before), then
you won't get any useful advice.
-Justin
Thank you
TJ Mustard
Email: musta...@onid.orst.edu
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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