[gmx-users] No such moleculetype SOL
mark.j.abraham at gmail.com
Sat Sep 21 21:41:55 CEST 2013
On Sat, Sep 21, 2013 at 9:06 PM, Jonathan Saboury <jsabou1 at gmail.com> wrote:
> 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.
Have a look at how Justin's tutorial's .top gets access to a water topology.
> 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
> Files: http://www.sendspace.com/file/ibwk3l
> Thank you, the help you guys give is extremely appreciated :)
> gmx-users mailing list gmx-users at gromacs.org
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users