[gmx-users] LJ question

[Anthony Cruz Balberdi]

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??? 
 
Thanks. 
 
Anthony     
 
 
 

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	Antes ahora y siempre COLEGIO
	University of Puerto Rico at Mayaguez
	http://www.uprm.edu
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