[gmx-users] how to put protein in the box?
kim at qtp.ufl.edu
Sun Jun 27 02:31:03 CEST 2004
I am using Trpcage with water model.
When I run VMD, I want to put protein in the octahedron box. But my protein is
jumping a lot sometimes it is in the box but sometimes is out of the box.
I tried to use -center option when I use trjconv, like trjconv -f aaa.trr -o
aaa.xtc -center, it doesn't work.
Would you tell me the right way to solve this problem?
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