On Mon, Sep 01, 2014, Soumendranath Bhakat wrote:
>
> | ERROR: I could not understand line 13754
> 0.3338281 -0.2220158 0.3101956 0.5860788 -0.7988098 -0.1058605
Look for '***' characters in your inpcrd file. You will need to re-run the
section of the trajectory that produced these.
> cut=12.0,
Be sure you really need such a large value.
> Do I need to put iwrap=1 as it looks like a system overflowing.
That is likely to help. Another good idea is to set ntxo=2, to use the netcdf
form of the restart file.
....dac
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Received on Mon Sep 01 2014 - 05:30:02 PDT
