[gmx-users] acetonitrile from amber to gromacs

[vedat durmaz]

hi all together,

this week i'm trying to do some simulations with acetonitrile (AN) as a
solvent and using ffamber99 as force field. on this website

http://www.pharmacy.manchester.ac.uk/bryce/amber#box

i found a gorgeous little box containing a pretty number of 6-site
modeled AN molecules, represented by 3 files:

ch3cn_210.pdb
frcmod.ch3cn
prep.ch3cn

does anyone have an idea, how to generate .gro/.itp files out of these
amber files, preferably by pushing a single button of some proper tool??

i'ld be the happiest guy in world if someone told me the trick!

regards,

vedat