Hi all,
I just want to know if it is valid to use distance restraints on a molecule (prepared with gmx disre) without using it for NOE NMR? I have created the disre files and put them into the topologogy.
Hi,
gmx disre is a tool to compute violation of distance restraints.
What do you exactly mean with " distance restraints on a molecule (prepared with gmx disre) "?
Thank you
Alessandra