[gmx-users] structure error

Dinesh Pinisetty dpinis1 at lsu.edu
Tue Aug 31 21:03:01 CEST 2004

Hello all,
     When I have created a bilayer and perform Energy Minimization,I was
able to do energy minimization,but when I added water on either side and
try to do Energy Minimization it was showing me error as "Segmentation
Fault",Dr.David said me that generally segmentation faults are because of
initial structures.I have checked my initial structure there was a small
gap between water molecules and head groups they were not touching with
each other.Could anyone guess the mistake.
       By the way I have created water molecules in two simulation boxes
and added boxes on either side of the monolayer.
  I hope someone would do the needful,I appreciate any help extended......
Thanking you,

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