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[Adun-dev] Addition of capping groups Raul E Alcantara Fri Aug 07 05:31:15 2009

I'm thinking of implementing charged/neutral capping groups for the 
Charmm forcefield. The standard charged: NH3+ , COO- terminals or the 
neutral versions: NH2, COOH; these all have parameters in the Charmm27 
forcefield.

It would be nice to have the option appear when building a system with 
the Charmm forcefield (or maybe even for all forcefields) . What modules 
would have to be modified in order to implement this?

Thanks

--Raul

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