[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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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