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