distance dependant dielectric constant

From: Wagener, M. (Markus) (markus.wagener_at_organon.com)
Date: Fri Feb 27 2004 - 06:58:43 CST

Dear all,

we want to run some simulation with namd and a
distance dependant dielectric constant. From the
manuals it is clear that that is not supported by the
current version of namd (V2.5).

In the namd mailing list I found a patch to
ComputeNonbondedUtil.C that introduces a distance dependant
dielectric constant. My question is whether this patch will
be included in a future version of namd together with a
proper configuration parameter in the namd configuration file?

Or are there other (better) ways to run a simulation with
distance dependant dielectric constant with namd?


 Dr. Markus Wagener
 NV Organon
 MDI-CMC RK2330          phone: +31-412-661380
 P.O. Box 20             FAX:   +31-412-662539
 5340 BH Oss             Email: markus.wagener_at_organon.com
 The Netherlands
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