Re: [AMBER] Need help in Targeted MD

From: David A Case <>
Date: Fri, 2 Jan 2015 08:06:39 -0500

On Fri, Jan 02, 2015, Pallavi Mohanty wrote:
> Dear Dac!
> Tried using ntpr=1, Jobs stops saying "forrtl: severe (64): input
> conversion error, unit -5, file Internal Formatted Read ".
> And the out file states the same issue" INFO: Old style inpcrd file read"
> Have attached the output file!

I'm not sure what is triggering this message. Make sure that the input
coordinate file doesn't have any "*" characters in it.

Beyond that: the usual debugging: try turning off targetted options, to see
if this *exact* set of input files can be made to run a short simulation.
Basic idea is to simplify the input down until you can get it to work, then
slowly work back towards what you want, so that you can better localize the
source of the problem.


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Received on Fri Jan 02 2015 - 05:30:02 PST
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