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
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