[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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