FATAL ERROR: Asymmetric water molecule ?

From: Gaurav Sharma (sharma_at_coe.neu.edu)
Date: Tue Dec 21 2004 - 14:58:11 CST

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Hi All,

I am getting the following error while running my simulation of a protein solvated in a water box using periodic boundary conds.
FATAL ERROR: Asymmetric water molecule found??? This can't be right.

I first solvated the protein and then neutralized the charge on the whole system by using autoionize plugin. It placed 17 CLA ions in the system. While running the simulation I get the above error. I have attached a part of the output log file for your reference.

Thanks in advance for your help.
Regards
Gaurav

Gaurav Sharma
Computational BioNano Robotics Lab
Northeastern University
Boston, MA - 02115
Tel: 617-373-2970
http://www.bionano.neu.edu/

• application/octet-stream attachment: output.log

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