Date: Tue Apr 18 2017 - 09:37:10 CDT
I am trying to equilibrate my protein. On one step I put it into the water
box, run the molecular dynamics of water molecules with protein fixed.
Then I release all residues which are within 8A of chromophore (all other
atoms fixed), and perform energy minimization for 500 steps. Then I try to
run equilibration of water again: 1000 minimization steps and then 5000
However, on the last stage when MD of water starts, Segmentation fault
happens. No error is written.
What can be the problem?
Thank you in advance,
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