[gmx-users] Adding urea molecules to lysozyme simulation
Martin Nors Pedersen
martin.pedersen at esrf.fr
Thu Sep 3 10:57:24 CEST 2015
Thank you for the reply Justin!
I'm sorry for being so naive, but I still cannot get it to work.
Trying to follow the procedure described in you link, I got the
GROMACS: gmx genbox, VERSION 5.0.4
Library dir: /sware/exp/gromacs/5.0.4/share/gromacs/top
gmx_mpi genbox -f lysBox.gro -o lysUrea.gro -ci urea.gro -nmol 300
This tool has been removed from Gromacs 5.0. Please see
for ideas how to perform the same tasks with the new tools.
The link in the software message above mentions that "insert-molecules"
should be used instead, but that is the library/package that I could not
get to work yesterday :S
Can anyone help?
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