On Sat, Sep 25, 2010, Pete Kekenes-Huskey wrote:
> I am setting up an Amber minimization of a small RNA molecule and have
> encountered an 'integer divide by zero' error when running sander.
> >source leaprc.rna.ff99
Looks like you have an old version of Amber (which version is it? what
compiler and OS?), since this "rna" file is no longer needed, and has been
moved to the "oldff" location, only to be used for those who need backward
compatibility).
I can't reproduce your result...I ran your system with exactly your input
files, and everything looked fine. Maybe an upgrade will help; maybe not
loading both leaprc.ff99SB and leaprc.rna.ff99 would help. You can try to
play with things to see what triggers the error (is it RNA vs DNA? TIP4P vs.
TIP3P water? etc.) Integer divide by zero is an error I don't recall having
seen before...
....dac
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Received on Mon Sep 27 2010 - 07:00:05 PDT
