Ie.,

The beta-alanine neutral form is in NH2-CH2-CH2-COOH, but i want its zwitterionic form which is NH3+-CH2-CH2-COO-

Any suggestions..??

Thank you.

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On Fri, Feb 9, 2018 at 10:37 AM, Dilip H N <cy16f01.dilip@nitk.edu.in> wrote:

Hello,
I was able to get the beta-alanine neutral structure in chimera using the PubChem id ie., 239.
But i want beta-alanine in its zwitterionic form since in water systems it will be in more stable in zwitterionic and i can run the simulation.

So, how do i get it in zwitterionic form..??

Any suggestions are appreciated.

--
With Best Regards,

DILIP.H.N
Ph.D Student

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With Best Regards,

DILIP.H.N

Ph.D Student