[gmx-users] Precision mismatch

[Justin A. Lemkul]

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.

-Justin

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

-- 
========================================

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

========================================