[gmx-users] MoleculeType not found
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.
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
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