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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 _______________________________________________ Adun-dev mailing list [EMAIL PROTECTED] https://mail.gna.org/listinfo/adun-dev
- [Adun-dev] Addition of capping groups Raul E Alcantara 2009/08/07 <=
- Re: [Adun-dev] Addition of capping groups Michael Johnston 2009/08/10
- Re: [Adun-dev] Addition of capping groups Jordi Villà 2009/08/10
- Re: [Adun-dev] Addition of capping groups Michael Johnston 2009/08/10
- Re: [Adun-dev] Addition of capping groups Jordi Villà 2009/08/10
- Re: [Adun-dev] Addition of capping groups Michael Johnston 2009/08/10
- Re: [Adun-dev] Addition of capping groups Jordi Villà 2009/08/10
- Re: [Adun-dev] Addition of capping groups Michael Johnston 2009/08/10
- Re: [Adun-dev] Addition of capping groups Jordi Villà 2009/08/10