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Re: [modeller_usage] distance-dependent dielectric const.??
- To: Himanshu Grover <hgrover_00 AT iiita.ac.in>
- Subject: Re: [modeller_usage] distance-dependent dielectric const.??
- From: Modeller Caretaker <modeller-care@ucsf.edu>
- Date: Wed, 14 Jul 2004 15:58:13 -0700
- Cc: modeller_usage@listsrv.ucsf.edu
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
--
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