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.
Mark
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