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#2051 07/15/04 07:45 PM
Joined: Jun 2004
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tribas Offline OP
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Are the parameters any different using GBSW compared to GBORN? As it's not documented yet in the Charmm Docs. I'm modeling MbCO using the Gborn boundary, however, it tends to unfold in 25 - 50 ps. I wanted to try the smoothing function as published by IM and Brooks III.

Thanks for all of your help!

tribas #2052 07/26/04 10:21 PM
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Note that the formulation of the model is quite different. There does exist documentation for gbsw, but this module is part of c31a versions not yet available to general users.


Moderated by  BRBrooks, lennart, rmv 

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