[gmx-users] Range checking error
Mark.Abraham at anu.edu.au
Tue Apr 22 06:34:20 CEST 2008
SeungPyo Hong wrote:
> Dear gmx-users,
> I run MD for a protein molecule solvated with water molecules.
> Until now it works well, however strangely they started to crash, I
> don't know the reason.
> So, if anyone have similar problem please let me know the solution.
> It seems like that NPT system might cause some problems.
You need to prepare your system better, and/or equilibrate more gently.
See http://wiki.gromacs.org/index.php/blowing_up and links thereon. Pay
attention to any warning messages from grompp.
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