[gmx-users] Precision mismatch

Justin A. Lemkul jalemkul at vt.edu
Sat Apr 2 06:00:59 CEST 2011

Sai Pooja wrote:
> Hi
> Precision mismatch for state entry nosehoover-xi, code precision is 
> double, file precision is float
> I am trying to extend an mdrun from a restart file. I get the error 
> pasted above. The restart file was generated on a different cluster and 
> I am now extending these simulations. Can this be resolved?

Install Gromacs with matching precision.


> Pooja
> -- 
> Quaerendo Invenietis-Seek and you shall discover.


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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