During a Macromodel torsion scan, it minimizes my ligand at each stage of the torsion scan. How can I do a rigid torsion scan using Macromodel?

If you are using Macromodel → Coordinate Scan for your torsion scan, in the Minimization tab you can set the number of iterations to zero in the Mini tab. Another option is you could instead use the simpler torsion scan panel Tools → Rapid Torsion Scan, which by default does not do this minimization.

Back to Search Results