[gmx-users] annealing parameters

[Ghermes Chilov]

Hello gmx-users,

it seems that options describing annealing in 3.2 has changed, however
it was not reflected in the manual or in the gmx-list. May I clarify
this point here?!

ref_t                 stands for the INITIAL temperature (of each
                      tc_grps), wright?

annealing_npoints     number of points (next to initial) to
                      supply temperature for. (?!)

annealing_time        time interval to change T from the previous
                      point to the nascent (?!)

annealing_temp        temperature (to be achieved) at each point (?!)

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I was very much confused with this settings, since in 3.1.4 (and
earlier versions) ref_t standed for the final T. So I think it's
reasonable to broadcast this changes over the list.

Ghermes Chilov