[gmx-users] no non bonded parameters from PRODRG

Jennifer Williams Jennifer.Williams at ed.ac.uk
Fri Jul 30 17:32:58 CEST 2010


I am trying to create .top files for some complex organic molecules  
using the PRODRG server and the gromos 96 forcefield. PRODRG gives me  
bonded parameters (stretching, angle bending, torsions) etc but no  
lennard jones parameters (sigma, epsilon) or charges.

Where can I get the non bonded terms from? Does it make sense to  
extract these values from the OPLS forcefield or elsewhere when I am  
using gromas 96 forcefield to get the bonded parameters. I am wary of  
cobbelling forcefield parameters together from different sources,


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