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http://bugzilla.gromacs.org/show_bug.cgi?id=383
-- original message --
Hi,
Can you file a bugzilla and attach the tpr file?
Thanks,
Berk
Date: Tue, 5 Jan 2010 10:49:46 -0500
From: chris.neale at utoronto.ca
To: gmx-users at gromacs.org
Subject: [gmx-users] particle decomposition requires preliminary
trjconv -pbc mol input
Thanks Berk, I actually did not have continuation = yes. I still use
old-style .mdp options unconstrainted_start and gen_vel (see
below), although these get replaced by grompp.
Quoting grompp:
"Replacing old mdp entry 'unconstrained_start' by 'continuation'"
gpc-f101n084-$ grep continuation mdout.mdp
; For exact run continuation or redoing part of a run
continuation = no
########
Here is my entire .mdp file. I have tested after turning off the
pull code and it makes no difference.
<snip>
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