Hi all,
Thank you for ever help.
But now I have met another problem. During running ptraj, it crashed , with reminding that:
Warning in readAmberTrajectory : fsetpos failed on when looking for box coordinates.
And I checked the output file. I found "vilimit exceeded for step ******, vmax = 22.3114 " on the crashed step .
Is there some ways to resolve the problem? Expecting your help.
Thanks a lot.
wang
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Received on Thu May 06 2010 - 18:00:04 PDT
