Wright, Louise wrote:
Hi Justin,
thanks for your reply. Yes the distances get a lot larger and are
definitely not just fluctuating. It is hard to demonstrate this without
showing you the whole file which is huge. However, I have used the same
input files with gromacs 4.5.4 just now and it works- I think it might
be a bug with gromacs 4.5.5 ?
If the problem is reproducible in 4.5.5 but absent in 4.5.4, please file a bug
report on redmine.gromacs.org with a .tpr file that produces the problem so that
it can be fixed.
-Justin
--
========================================
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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