[gmx-users] frezzing a bond

Nilesh Dhumal 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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