[gmx-users] No such moleculetype SOL
jsabou1 at gmail.com
Sat Sep 21 21:06:23 CEST 2013
I am doing this tutorial:
I have set up the randomly placed cyclohexane and water throughout the box.
The problem is when i try the command "grompp -f em.mdp -c biphase.gro -p
cyclohexane.top -o em.tpr" it errors telling me "No such moleculetype SOL".
I know SOL is water, and the .top file does not include any sort of .itp
that includes water. I've tried to add "#include
"amber99sb.ff/forcefield.itp"" with no avail.
This is strictly just cyclohexane and water, I am not interested in putting
a protein inside of it.
Commands used: http://pastebin.com/raw.php?i=RaKNCpi4
Thank you, the help you guys give is extremely appreciated :)
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