Re: [AMBER] pmemd.MPI error

From: David A Case <>
Date: Mon, 16 Mar 2015 17:48:39 -0400

On Mon, Mar 16, 2015, George Tzotzos wrote:
> | ERROR: I could not understand line 21122
> 112.1412192 403.0270264 138.5130746

You have '***' characters in the restart file. (The reported line number
is likely to be incorrect, but they are in there somewhere.) This arises from
overflow of a fixed-format file.

"Best" solution is to use netcdf restart files (set ntxo=2); then this problem
can never happen. You'll have to start over at the last "good" restart file.

...good luck....dac

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Received on Mon Mar 16 2015 - 15:00:03 PDT
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