[gmx-users] No such moleculetype SOL

Mark Abraham mark.abraham at anu.edu.au
Wed Jul 7 10:41:26 CEST 2010

----- Original Message -----
From: nanogroup <nanogroup at ymail.com>
Date: Wednesday, July 7, 2010 18:16
Subject: [gmx-users] No such moleculetype SOL
To: gmx-users-request at gromacs.org
Cc: gmx-users at gromacs.org

| > Dear GMX Users,
> I solve sample in the water, but when I run GROMPP, this error appeares:
> Fatal error:
> No such moleculetype SOL
> Without water, the grompp was done.

So you haven't solvated properly, because you have added solvent coordinates, but have no solvent [moleculetype] present in your .top. However, since you haven't provided any details about how you were trying to solvate, you have made it hard to help you.

Mark |

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