Re: [modeller_usage] distance-dependent dielectric const.??

On Wed, Jul 14, 2004 at 05:08:24PM +0530, Himanshu Grover wrote: > Is the distance-dependent dielectric constant being considered under > modeller refinement scheme?? if yes, where is the default parameter > defined...??

No - Modeller uses a constant dielectric, which by default is 1.0 (as you might expect for explicit simulation) although this can be changed by setting the RELATIVE_DIELECTRIC TOP variable. Bear in mind that electrostatic interactions are only calculated if DYNAMIC_COULOMB is set to 'on'.

Ben Webb, Modeller Caretaker