[gmx-users] Pulling multiple groups

Justin A. Lemkul jalemkul at vt.edu
Wed Feb 1 14:58:13 CET 2012

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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