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8:52 AM
7
Q: What is the current cutting edge of general use open source Force-Field generation?

Charlie CrownThe adoption of atom-typing allowed for the creation of incredibly widely used force-fields (FF) such as GROMOS/AMBER/OPLS and many more. Because of the assumptions required in Molecular Mechanical (MM) models, in order to be accurate, at least part of the force-field must be fit to experimental ...

 
 
4 hours later…
12:26 PM
11
Q: How to map ESP, from G16, on solvent accessible surface?

DSVAGaussian cubegen and surface generators in Gaussview seem to only allow to map the ESP on SCF densities. I would like to plot it on the solvent accessible surface. Is there any (free) software that allows me to do that?

 

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