Hi all,
I restraint stable residues (310/568 in total residues) and run aMD in
order to explore possible loop conformation. I would like to keep stable
residues fix because their back calculated values are well correlated with
experimental data. Restraint cannot keep them stable enough then can I use
constraint with ibelly=1 and still run aMD to enhanced sampling loop
conformation?
Thanks for any of your suggestion.
Kat
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Received on Wed Mar 29 2017 - 14:00:03 PDT
