Dear All
Is there a way to increase the constraint force linearly from 0 to 30 kcal
mol-1 Å-2 over time?
The MD run length is1002.5 ps, in which the linear increase of the distance
constraints will only be over the first 2.5ps (following a protocol set up
in J. Mol. Biol. (1999) 290, 699-716 by M.S.Searle et al.)
Any assistance would be greatly appreciated.
Andrew Box
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Received on Fri Aug 26 2005 - 07:53:00 PDT
