[gmx-users] Basic questions.

fabracht sdf fabracht at gmail.com
Wed Mar 26 14:42:54 CET 2008


Hello. This is my first time writing an e-mail to this list. So, please
apologize if I am doing anything wrong.
I have a basic question about gromacs. How do I restrain certain atoms in my
protein. I've tried to create an ndx file with the residues i would like to
restrain and then I created an itp file using posre. But how do I include
these restrain forces to my topology file? This path I've made, is this
correct?
Thank you
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