[AMBER] crashing multisander with TI/dummy

From: Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>
Date: Fri, 10 Oct 2014 12:11:21 +0100

Hi again,

I am currently playing around with running TI jobs using the dummy
approach. But sander (12 and 14) keeps crashing on me and I can't find
out why. There is no indication in the output as to what went wrong. I
thought it was the patched parmtop files (with ParmEd) I am using but
this doesn't seem to be the reason.

I have attached a simple system in vacuum with all the inputs I have
used.


Many thanks,
Hannes.
-- 
Scanned by iCritical.



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber


Received on Fri Oct 10 2014 - 04:30:02 PDT
Custom Search