Hi Mark, I did simulation of the same system in vacuum, and system behave the normally, So the instability in the system is due to the spc Water model??? As per the link http://www.gromacs.org/Documentation/Terminology/Blowing_Up
I think the source is (Please tell me is it right..?? or any else reason ) last option : you have a single water molecule somewhere within the system that is isolated from the other water molecules. How to find such water molecule and solve the problem?? Thank you in Advance . With Best Wishes, Rama David
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