AMBER: Segmentation Fault when saving prmtop and inpcrd files in xleap

From: Laura McDriscoll <>
Date: Fri, 16 Mar 2007 01:59:33 -0400

I am trying to do a simulation of NaCl in H2O solution using periodic
boundary conditions and AMBER 6 package. I am using xleap to set up my
system with the unit editor. Briefly, I imported one Na+ unit, one Cl-
unit, then closed the editor. I then used the solvateBox command to solvate
my system:

solvateBox system WAT 20 iso

The solvated system looks fine in the unit editor, but when I try to save my
prmtop and inpcrd files using:

saveAmberParm system system.crd

I get a segmentation fault (core dumped) message and xleap exits

Does anyone know what I did wrong? I only have problems saving inpcrd and
prmtop files when a periodic boundary condition is imposed. All other
systems save with no problem.


Laura McDriscoll

Get Out Of The House - Ski, Skate & Sun!147

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Received on Sun Mar 18 2007 - 06:07:28 PDT
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