[gmx-users] Getting out of the box!!!
Marcelo Fabricio Masman
mmasman at gmail.com
Wed May 10 10:28:36 CEST 2006
Hello gmx users:
I am running a very common MD simulation and the protein system is getting
OUT of the box after approximately 200 ps. I have tried several things.
Does it happen very frequently? (common mistake)
Is there any way to keep, during the whole calculation, the protein system
into the center of the box?
What could I do for avoiding this phenomenon?
Thanks in advance.
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