[gmx-users] frezzing a bond
ndhumal at andrew.cmu.edu
Sat Jul 17 00:33:49 CEST 2010
I am trying to freeze a bond (3.5 A) in my system. I used the index file
to define group and I added this two lines in my .mdp file.
freezegrps = PA NE
freezedim = Y Y Y Y Y Y
I used g_dist to verify the distance between the freezing atoms and it
turned out 3.9 A. I checked my .itp also (distance is 3.5).
How can I freeze a bond?
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