[gmx-users] simulating several proteins
Cristiano De Michele
cristiano.demichele at roma1.infn.it
Wed Mar 10 16:23:53 CET 2010
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
"Shoot for the moon. Even if you miss, you'll land among the stars."
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