[gmx-users] acetonitrile from amber to gromacs
durmaz at zib.de
Wed May 19 18:15:29 CEST 2010
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
i found a gorgeous little box containing a pretty number of 6-site
modeled AN molecules, represented by 3 files:
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!
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