[gmx-users] unconstrained_start vs. continuation in Gromacs 4.5.x manual

Oliver Stueker ostueker at gmail.com
Tue Oct 5 01:57:00 CEST 2010


Dear Gromacs Community,

as I understand the MDP option "continuation" is the new name for the
option "unconstrained_start".

I think the 4.5 series manual should be updated to mention that fact,
since it still only mentions "unconstrained_start"
(at least the html version of gromacs 4.5.1 :
/usr/local/gromacs-4.5.1/share/gromacs/html/online/mdp_opt.html#bond )
although that name seems to be deprecated since Gromacs 4.0.

Oliver



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