[gmx-users] Charge derrivation for OPLSAA forcefield

[Milinda Samaraweera]

Hi Guys

I was using the program http://q4md-forcefieldtools.org/RED/ to derrive ESP based charges for some molecules that I study. Is this a correct method to do so if not please let me know what are the other methods that are available.

thanks alot

 
Milinda Samaraweera
University of Connecticut
Department of Chemistry
55 N Eagleville road
unit 3060
Storrs CT
USA
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