[gmx-users] Regarding Beta-alanine structure

Dilip H N cy16f01.dilip at nitk.edu.in
Thu Feb 8 07:19:05 CET 2018


Hello,
I want to simulate beta-alanine amino-acid. But in charmm36 FF there are
four different names (three/four letter code) for ALA, ie., ALA, DALA,
ALAI, ALAO.
Out of this, i wanted to know which one corresponds to beta-alanine
structure..??

I tried in Avogadro software and i could build only alanine structure, and
not beta-alanine. How can i get the pdb file of beta-alanine..?? any other
ways..?
So, can anybody help me regarding this..??

Thank you.

-- 
With Best Regards,

DILIP.H.N
Ph.D. Student



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