On Wed, Sep 21, 2011, Hirdesh Kumar wrote:
> I am trying to continue my simulation. Previously i have run it upto 7ns and
> now I am continuing it to 20 ns. While running sander, I got following error
> in the output file.
> *
> peek_ewald_inpcrd: SHOULD NOT BE HERE*
>
> I checked my input .rst file by generating the pdb file and it seems fine.
>
> Here I am pasting the output file. Please have a look into this and suggest
> me where I am wrong..
Can you post the 10 ten bottom ten lines of your restart file, plus the top
ten lines of the prmtop file? That may help identify the problem. Also,
compare prod6.rst (which seems to fail) to prod5.rst (which I gather worked).
Are they the same size? Are the last few lines of the files similar?
....dac
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Received on Sun Sep 25 2011 - 14:30:04 PDT
