[gmx-users] RE: Covalent bonds breaking formation

Vitaly Chaban vvchaban at gmail.com
Thu Jul 3 09:08:04 CEST 2008

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> What software instead of gromacs can I use to treat chemical reactions properly.
> (See Chapter 1 page 4 of manual-3.3.pdf)
CPMD, VASP, Quantum-ESPRESSO.

What about using google?

-- 
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svobody sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban

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