Yes for that you want "restart" format
On Wed, Oct 31, 2018, 7:39 AM Thomas Evangelidis <tevang3.gmail.com wrote:
> Yes, I was trying to launch an energy minization from the last frame of an
> MD trajectory. crd or nc formats did not work, I guess because the
> coordinates were written in single precision.
>
> On Wed, 31 Oct 2018 at 12:22, Carlos Simmerling <
> carlos.simmerling.gmail.com>
> wrote:
>
> > What are you trying to do with the "crd" format file? It can't be used as
> > an inpcrd, for example.
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> --
>
> ======================================================================
>
> Dr Thomas Evangelidis
>
> Research Scientist
>
> IOCB - Institute of Organic Chemistry and Biochemistry of the Czech Academy
> of Sciences <https://www.uochb.cz/web/structure/31.html?lang=en>
> Prague, Czech Republic
> &
> CEITEC - Central European Institute of Technology <https://www.ceitec.eu/>
> Brno, Czech Republic
>
> email: tevang3.gmail.com
>
> website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Wed Oct 31 2018 - 05:00:02 PDT
