Sv: Re: [gmx-users] double and single precision
Edvin Erdtman
Edvin.Erdtman at hb.se
Mon Feb 20 11:13:37 CET 2012
Hi again
How do I "set the env.var. GMX_ENX_NO_FATAL"?
I have tried in bash with:
GMX_ENX_NO_FATAL=1
and then
eneconv -e
But I still get fatal error.
/Edvin
--
Dr. Edvin Erdtman
Instutitionen Ingenjörshögskolan
501 90 BORÅS
>>> 2012-02-20 kl. 09:38, skrev Mark Abraham <Mark.Abraham at anu.edu.au>
:
> On 20/02/2012 7:29 PM, Edvin Erdtman wrote:
> > Hi
> >
> > So the best I can do now is to recreate the first part, and rerun
"new"
> > the simulations?
> >
>
> If you have a full frame (positions+velocities+maybe energies, or a
> checkpoint file) then I expect so. Save your crossbreed files in case
> someone has a better idea.
>
> Mark
> --
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