12 Apr
2004
12 Apr
'04
2:29 p.m.
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