[gmx-users] Selecting a force field for dioxane

[Saikat Banerjee]

Hi,

I would like to know if anybody has reproduced the physical properties of
dioxane (like dielectric constant, dipole moment, etc) in GROMACS. If so,
what force field was found to be optimum?

If not, then anybody has any idea about which force field to start with?

Thanking you,
banskt

-- 
-------------------------------------------------------------------
Saikat Banerjee
Integrated Ph.D student
Solid State and Structural Chemistry Unit (SSCU)
Indian Institute of Science
Bangalore-560012
-------------------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100716/5a344da9/attachment.html>