On Sun, Dec 02, 2018, Jag Silwal wrote:
>
>parm x.prmtop
>trajin final.mdcrd 20000 last 400000
>trajout MyFrames.pdb multi
>
>But got the following warning and only few frames are processed.
>
>"Warning: Coordinates are too large to fit in PDB format. Consider another
>format.
> 0% Warning: Coordinates are too large to fit in PDB format. Consider
>another format.
>100% Complete"
Try inserting an "autoimage" command before the trajout command.
Depending on your needs, you may also wish to carry out an rms command
of the protein to (say) the coordinates at the first frame.
No guarantees, but these commands are likely to bring the coordinates
back into the range of the PDB format.
...dac
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Received on Sun Dec 02 2018 - 12:00:02 PST
