[AMBER] AMBERTOOLS: sqm fails to read input with more than 1000 external charges

From: Franz Symalla <franz.symalla.kit.edu>
Date: Wed, 22 May 2013 14:56:42 +0200

Hello,

when i run sqm using PM6 with more than 1000 #EXCHARGES .. #END i get
the error message:

'Missing "#END" termination sign, exit program'

If i decrease the number of point charges to several hundred everything
runs just fine.
Is this some hard coded limit or does anyone know a way how i can
inlcude more point charges in my sqm calculations?

Thanks for any help,
best regards,
Franz


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Received on Wed May 22 2013 - 06:00:08 PDT
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