From: Gaurav Sharma (sharma_at_coe.neu.edu)
Date: Tue Dec 21 2004 - 14:58:11 CST
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.
Computational BioNano Robotics Lab
Boston, MA - 02115
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:18:31 CST