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

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Wed, 9 Feb 2011 11:54:58 -0800

> Fortran runtime error: Bad value during floating point read

This probably indicates that there are ****'s in your restrt
indicating that an atom's coordinate has exceeded the format
allowed in the file. Are you using a box, with iwrap=0? Are
your energies (and if NPT, density) normal?

You might get around it be rerunning your last with iwrap=1.


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