[gmx-users] LINCS warnings

[rama david]

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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