[gmx-users] Add new atom type

[Tandia, Adama]

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
found".

Is there anything else I should do?

Regards,

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


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