[gmx-users] dmso-box

[Karin Bettinger]

Hi all!

I want to use the dmso-box included in the top-files from gromacs.
Does anybody know why this box has only a density of about 790g/l, while
experimental
data are about 1100g/l ?  (If not I would simply decrease the size of
the box till the density is 1100)
Do I have to change the dielectrical constant to the experimental value
of dmso for the simulations?

Why doesn't genbox treat these files as solvent (command: genbox -cs
dmso.gro ....), but always includes
only this one box with 208 dmso-molecules? That means the number of
molecules depends not on the box volume (like the waterbox) and the
created box is not randomly filled.

Thank you for any help and information!

karin