shake and minimzation, equilibration

From: Stern, Julie (jvstern_at_bnl.gov)
Date: Wed Aug 03 2005 - 14:56:13 CDT

I have a question about equilibration protocols. Is
it typical that shake be off initially and then turned
on later or is okay to have shake on for the whole
minimization and equilibration process? Thanks for any
opinions. (I know the amber people leave it off at first)

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