[AMBER] Error in MMPBSA calculation

From: Shilpa Gupta <guptashilpa0605.gmail.com>
Date: Tue, 16 Jul 2019 12:33:02 +0530

Dear AMBER users,
I am trying to run the MMPBSA calculation and the input topology files for
the dry complex, receptor, and the unit forming complex with receptor have
been generated using ante-MMPBSA.py. But i am getting this erro

Error in box coord line of trajectory _MMPBSA_complex.mdcrd.0.
      Expect only 3 or 6 box coords.
Problem line: 6.901 6.927 7.436 -8.349

    Error: Could not set up _MMPBSA_complex.mdcrd.0 for reading.
Error: trajin: Could not set up trajectory.
TrajError: Trajectory _MMPBSA_complex.mdcrd.0 has 0 frames!

I have checked earlier mails also but couldn't get any idea related to this
error. If any body has come across this issue please reply. Thanks in

Shilpa Gupta
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Received on Tue Jul 16 2019 - 00:30:02 PDT
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