[gmx-users] rigid or flexible water models
Justin A. Lemkul
jalemkul at vt.edu
Mon May 10 15:21:33 CEST 2010
shahab shariati wrote:
> Dear Justin
>
> application of SETTLE algorithm is equal to rigidity. is it true?
>
> thanks
>
That would be the implication. If it's not flexible, it's rigid. And if it's
rigid, then the SETTLE constraint algorithm is being applied to it.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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