[gmx-users] simulating several proteins

Cristiano De Michele cristiano.demichele at roma1.infn.it
Wed Mar 10 16:23:53 CET 2010

Dear all,
is it possible to simulate more than one protein with GROMACS?
I would like to simulate two lysozyme proteins not solvated and
I tried changing number of proteins in topology file (attached) and
then I used this modified .top file to generate a .gro configuration
with genbox, but I always end up getting just one protein
in the simulation box...

Cristiano De Michele, Ph.D.
Department of Physics                             Tel.  :  +390649913524
University of Rome  "La Sapienza"        Fax  :  +39064463158
Piazzale Aldo Moro, 2
I-00185 Roma - Italy
homepage: http://pacci.phys.uniroma1.it/
"Shoot for the moon. Even if you miss, you'll land among the stars."

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