CCL: DPD solubility parameters
- From: Joaquin Barroso Flores <joaco_barroso++yahoo.com>
- Subject: CCL: DPD solubility parameters
- Date: Sat, 2 Sep 2006 01:40:02 -0500 (CDT)
Hello,
Does anybody know if there is a way
to calculate DPD solubility parameters for molecular fragments using quantum
mechanical methods? I need to define some fragments and their relative
interactions for the later implementation of a DPD code. By the way, and while
im at it, is it correct to call DPD a molecular dynamics method? I've got a bit
of a controversy on that one.
Thanks to all in
advanced!
Cheers
**********************************************************
Q. Joaquin Barroso-Flores
Departamento de Quimica
Teorica
Instituto de Quimica UNAM
Correo Alterno:
joaquin_barroso===correo.unam.mx
joaquin.barroso===gmail.com
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