Re: [AMBER] break down of simulation after approximately 60 ns

From: case <>
Date: Wed, 9 Feb 2011 14:52:36 -0500

On Wed, Feb 09, 2011, Jakob Luchner wrote:
> 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

You don't indicate what restart file you used, but it probably has "***"
inside it. Use a text editor to check for that. You can search the mailing
list archives for this problem (it comes up a lot): search for "iwrap".


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Received on Wed Feb 09 2011 - 12:00:02 PST
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