[gmx-users] annealing parameters
Ghermes at belozersky.msu.ru
Fri May 28 08:42:55 CEST 2004
sorry... this interpretation also seems to be incorrect :-(
Thus it's even more urgent now to give instructions on annealing...
GC> it seems that options describing annealing in 3.2 has changed, however
GC> it was not reflected in the manual or in the gmx-list. May I clarify
GC> this point here?!
GC> ref_t stands for the INITIAL temperature (of each
GC> tc_grps), wright?
GC> annealing_npoints number of points (next to initial) to
GC> supply temperature for. (?!)
GC> annealing_time time interval to change T from the previous
GC> point to the nascent (?!)
GC> annealing_temp temperature (to be achieved) at each point (?!)
GC> I was very much confused with this settings, since in 3.1.4 (and
GC> earlier versions) ref_t standed for the final T. So I think it's
GC> reasonable to broadcast this changes over the list.
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