[gmx-users] Pulling multiple groups

Wright, Louise Louise.Wright at warwick.ac.uk
Wed Feb 1 14:31:17 CET 2012


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 ?
Louise

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