[gmx-users] Accessing the distance_restraints energy term

Mark Abraham Mark.Abraham at anu.edu.au
Tue Dec 2 02:48:07 CET 2008

Chris Neale wrote:
> Thanks Mark for your assistance.
> I have discovered the source of my problems in getting 
> distance_restraints working. Without disre=simple in the mdp file, 
> disre=no is assumed and, according to the manual:
> "no distance restraints (ignore distance restraint information in 
> topology file)"
> While I admit that this information was readily available to me, it is 
> so counter-intuitive to me
> that a defined distance restraint would simply be ignored that I am 
> posting the solution here in case anybody else gets confused on this topic.

Indeed. I made a bugzilla enhancement request on this topic. 


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