[AMBER] break down of simulation after approximately 60 ns

From: Jakob Luchner <jakob.luchner.kip.uni-heidelberg.de>
Date: Wed, 09 Feb 2011 20:36:25 +0100


I am performing MD-simulations with triple helical structures using
amber10. After approximately the simulations break down in each case
with the same error:

  /usr/local/amber10/exe/ambpdb -p 1BWG_md16.prmtop -aatm -bres
At line 689 of file _ambpdb.f
Fortran runtime error: Bad value during floating point read

The produced pdb file is not readable.
Are the distances getting too long after such a long time or are they
problems with the periodic boundary box after such a time scale. Does
anybody know something?


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Received on Wed Feb 09 2011 - 12:00:01 PST
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