[gmx-users] regarding solvating a molecule
ali.khodayari at student.kuleuven.be
Mon Mar 18 18:32:50 CET 2019
I am trying to solvate a molecule. I am using GLYCAM force field and have
generated the *.gro and *.top files through acpype. I want to include tip3p
parameter sets from amber99sb.ff. Including the tip3p.itp in the topology
file does not suffice as it complains about OW atomtype not found. What am I
doing wrong? How can I include the water molecule in my system?
Thank you in advanced.
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