[gmx-users] LJ question

Anthony Cruz Balberdi acb15885 at uprm.edu
Tue Dec 19 06:53:59 CET 2006

Hi User: 
I have a little question about the LJ parameters.  If I download a molecular topology from the site that have new atom 
types with new LJ parameters, I supposed to add an [ atomtypes ] section to the topology that define the new types and 
the new LJ.  The question is I need to add the LJ combination (Cij6 and Cij12) manually to the ffG43a1nb.itp or they 
will be calculated during the MD run??? 

	Antes ahora y siempre COLEGIO
	University of Puerto Rico at Mayaguez

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