The .rst7 files are the restart files. You can use these to restart a
simulation from that particular state. It contains information about
coordinates from that particular time frame at which the file was written.
The .nc and.mdcrd files are both coordinate files. They contain trajectory
information. .nc is just a more space saving option.
On Fri, May 5, 2023 at 9:56 AM Priyasha Majee via AMBER <amber.ambermd.org>
wrote:
>
>
> Dear sir/madam,
>
> What is the significance of rst7 files in md simulation?
>
> What is the difference between .nc file and .mdcrd files if both are
> coordinates files ?
>
> I just want to get a clear insight into what really happens with these
> files and where and when to use them.
>
> Regards,
>
> Priyasha Majee
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>
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Received on Thu May 04 2023 - 21:30:02 PDT
