I'd like to confirm the default and options for dynamic restraints.

 

I believe the default is set, under the OPTIMIZE command, as DYNAMIC_SPHERE = on

(all others off) and that this means that only soft-sphere overlap restraints are generated.

 

Are all the other DYNAMIC_ options available (LENNARD, COULOMB, MODELLER, ACCESS) and, specifically, what type of nonbonded restraints are included if DYNAMIC_MODELLER is turned on? 

 

Thanks,

 

Tom Duncan