> I am interested in doing explicit MD simulations for a heptapeptide. I was
> able to generate methanol and tip3p boxes, as their input parameters were
> present in Amber data base. Is there anybody who can help me to generate a
> box of acetone??
You could look for in R.E.DD.B. using the "Download projects" utility:
Search project(s) by
-- R.E.DD.B. code (if known)
-- Molecule keyword
-- Molecule name
-- Author lastname
-- Theory level/Basis set
Text acetone
