[gmx-users] why my protein run out of the box?

shensui830720 at aim.com shensui830720 at aim.com
Wed Mar 1 15:29:08 CET 2006

I have a question. My system includes a small protein and some 
water/ChCl3/Methanol solvents). Before I ran MD, I ran energy 
minimization first. However, when I ran MD, the protein jumped out of 
the solvent box after 3 ps and the simulation couldn't continue. Who 
can tell me what happened? Thank you very much!

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