[AMBER-Developers] addIonsRand command segfaulting

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 18 Feb 2013 16:54:07 -0500

Hello,

I'm running tleap on a ribozyme (PDB attached) with the following script:

# Constant pH resource file
source leaprc.constph
# TIP4Pew water model
loadAmberParams frcmod.tip4pew
loadOFF tip4pewbox.off
loadAmberParams frcmod.ionsjc_tip4pew

rib = loadPDB 2OUE.pdb

solvateOct rib TIP4PEWBOX 20.0

addIonsRand rib Na+ 67 Cl- 10

saveAmberParm rib 2OUE.solv20.parm7 2OUE.solv20.rst7

quit

And I get a segfault during the ion adding stage. When I take away the
rand, ions are added appropriately.

Any ideas?

Thanks!
Jason 

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Feb 18 2013 - 14:00:02 PST
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