[gmx-users] Add new atom type

Tandia, Adama TandiaA at Corning.com
Thu Jun 9 17:02:00 CEST 2005

Dear All:

I'm doing a classical MD with Gromacs 3.2 where I want to use the
ffgmx.it and ions.itp with a new type for which I have defined the force
fields parameters in topology file. When I add new type, say ABC in the
list in ffgmx.atp, grompp is still complaining about "AtomType ABC not

Is there anything else I should do?


Adama Tandia
Modeling & Simulation
Corning INC
SP DV 01-01
Corning NY 14831 USA
Tel:  607 248 1036
Fax: 607 074 3405

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