[gmx-users] Simple question (confout)

Dariush Mohammadyani d.mohammadyani at gmail.com
Fri Jun 15 18:11:19 CEST 2012


Is there any difference between confout.gro file and last frame which we
can extract from trajectory? I am thinking they are different!!
When I see the trajectory I can see the edge of the well-shaped box, but
when I see confout.gro it is not well-shaped and some atoms looks went out
out of the box.

PS:  It does not matter either NPT or NVT was used.

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