Hi All
I am solvating same system with truncated octahedron box and want to run
with both AMBER and GROMACs. In AMBER, am using 12 Ang buffer with
solvateoct and get around 76716 water molecules but with Gromacs with same
buffer I am getting around 132902 waters (almost twice). These are
following commands am using:
with AMBER:
solvateoct sol TIP3PBOX 12
with GROMACS:
editconf -f input.gro -o output.gro -c -d 1.2 -bt octahedron
I am not sure whats wrong, please let me know if someone got similar issues?
Thanks
jiom
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Received on Fri Jun 13 2014 - 07:00:02 PDT
