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.top system.crd
I get a segmentation fault (core dumped) message and xleap exits
automatically.
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.
Thanks
Laura McDriscoll
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Received on Sun Mar 18 2007 - 06:07:28 PDT
