[gmx-users] Solvent error?

[Mark Abraham]

On Aug 16, 2014 7:02 AM, "Nikolaos Michelarakis" <nm884 at york.ac.uk> wrote:
>
> These are the commands i used:

They're not quite the commands you used, since the earlier error requires
the use of gmx grompp -c solv.gro. So perhaps you are making a mistake in
which file you are actually using there.

Mark

> pdb2gmx -ignh -f 3ZK3-etc.pdb -o fws.gro -p fws.top
>
> for the topology and selected my custom AMBER forcefield which i had
placed
> in the working directory and chose tip3 water
>
> editconf -f fws.gro -o fws-PBC.gro -bt dodecahedron -d 1.2
>
> for the box
>
> gmx solvate -cp fws-PBC.gro -cs spc216.gro -o solv.gro -p fws.top
>
> for the solvation
>
> grompp -f em-sol-pme.mdp -c fws-b4ion.gro -p fws.top -o ion.tpr
>
> when i try to add the ions i get the error.
>
>
> Cheers!
>
> Nicholas
> --
> Gromacs Users mailing list
>
> * Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
send a mail to gmx-users-request at gromacs.org.