[gmx-users] Covalent bonds breaking formation

Sagittarius deckuofm at yahoo.com
Thu Jul 3 00:51:02 CEST 2008


Dear Gromacs users,

What software instead of gromacs can I use to treat chemical reactions properly.
(See Chapter 1 page 4 of manual-3.3.pdf)
What options in gromacs should I use to break and form covalent bonds.
(Examples, programs, etc)
Thank you in advance.
 
Alexander



      
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