distance-dependent dielectric const.??
14 Jul
2004
14 Jul
'04
4:38 a.m.
Hi ppl., Is the distance-dependent dielectric constant being considered under modeller refinement scheme?? if yes, where is the default parameter defined...??
yours sincerely
14 Jul
14 Jul
3:58 p.m.
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
--
modeller-care@salilab.org http://www.salilab.org/modeller/
Modeller mailing list: http://salilab.org/mailman/listinfo/modeller_usage
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Himanshu Grover -
Modeller Caretaker