With Schrodinger suite 2014 is possible to apply torsional constraints during the minimization phase prior the MM-GBSA calculation (ie STEP6 of DONKEY protocol).
Nevertheless, the application of such constraints needs to update the Schrodinger's Prime source code with a minor bugfix.
For more information about this issue please contact me (dario.corrada@gmail.com)
With Schrodinger suite 2014 is possible to apply torsional constraints during the minimization phase prior the MM-GBSA calculation (ie STEP6 of DONKEY protocol).
Nevertheless, the application of such constraints needs to update the Schrodinger's Prime source code with a minor bugfix.
For more information about this issue please contact me (dario.corrada@gmail.com)