[gmx-users] MoleculeType not found

Marco Ceruso mceruso at physbio.mssm.edu
Thu Sep 11 16:29:01 CEST 2003

Here is a modified version of "ions.itp" that David van der Spoel had posted
to the list a while ago.
Try to add the line "include "ions.itp" to the topol.top and change the name
of the ion (in topol.top) to that corresponding to your ff as per ions.itp.

-----Original Message-----
From: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org]On
Behalf Of Raj Badhan
Sent: Thursday, September 11, 2003 9:13 AM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] MoleculeType not found

Thank you Gerrit,
I will try this out later.
Many thanks for the quick reply
Raj Badhan
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