[gmx-users] Constraints - PMF - Different Molecules

Eudes Fileti fileti at ufabc.edu.br
Sat Nov 15 12:58:00 CET 2008


Dear gmx-users, I need to use constraints between two
polyatomic molecules in order to calculate PMF using free energy code.
Can anybody help me to use these constraints over two different molecules?
I ve already read something in the forum but not helped me enough.
(see http://www.gromacs.org/pipermail/gmx-users/2006-February/020049.html).
bests
eef
_______________________________________
Eudes Eterno Fileti
Centro de Ciências Naturais e Humanas
Universidade Federal do ABC
Rua Santa Adélia, 166 - Bloco B, Sala 1048
09210-170  Santo André - SP Brasil
+55.11.4437-8408
skype: eefileti
http://cromo.ufabc.edu.br/~fileti/
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