Date: Tue Oct 16 2012 - 02:13:22 CDT
Dear NAMD Users,
I have a question.
Is it able to calculate pulling constant velocity in water box?
I can calculate pulling constant velocity using no water box, Constant Temperature Control and Constant Pressure Control (variable volume).
But when I calculate pulling constant velocity in water box, I keep getting errors like the following.
ERROR: Constraint failure in RATTLE algorithm for atom 5!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Exiting prematurely; see error messages above.
I know this question is poor, I'm worried.
Please help me.
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