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Jose BorregueroJose Borreguero 

cvff_aug not available in the latest materials studio (MS2017)?

Dear all,

I need to simulate bulk silica, but cvff_aug force field is not available in the menu of Forcite. Does anyone know how can this force-field be incorporated into the Forcite menu?

Best,
Jose Borreguero
 
Jose BorregueroJose Borreguero
Thanks to Carsten's suggestion, I checked cvff.off in the latest materials studio and there's a there’s a “sz” atom type for silicon in a zeolite or silicate. Thus it may be the case that the current cvff already contains parameters for simulation of silicates as the cvff_aug has.