[gmx-users] Selecting a force field for dioxane

Saikat Banerjee banskt.saikat at gmail.com
Fri Jul 16 14:04:39 CEST 2010


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,

Saikat Banerjee
Integrated Ph.D student
Solid State and Structural Chemistry Unit (SSCU)
Indian Institute of Science
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