Dear Ambers,
I tried to use ptraj in AMBER7 to average the last 200 frame of my MD run.
The script I used:
traj AR.top << EOF
trajin AR.md7.crd 300 500
center :1-250
image center familiar
average average.rst restrt
EOF
Then I did one more miminization for 5000 steps. It didn't go through.
The EEL term became ********.
Anyone has ideas of what might go wrong?
Thanks!
aini
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Received on Thu Jul 01 2004 - 18:53:01 PDT
