[gmx-users] minimum periodic distance
wangzhun at pumc.edu.cn
Fri Feb 10 17:18:41 CET 2006
In a previous post
"use g_mindist -pi to chech the 'minimum periodic distance' to its periodic images during the simulation. That should be at least 1 nm, but for PME maybe one would want that larger."
I wonder how 1nm is set. Is this value based on rvdw, rlist, etc? If the minimum periodic distance is far less than 1nm, what does it imply? Is a larger box needed to start MD?
BTW, in my former post there is a typo: editconf command should generate a "tric" box, not a "cubic" one, if box type is not set.
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