[gmx-users] Regarding Beta-alanine structure
mark.j.abraham at gmail.com
Thu Feb 8 09:07:40 CET 2018
You should start with the original literature and/or CHARMM forcefield
distribution for its documentation. That wasn't ported to the force field
files one can use with GROMACS.
On Thu, Feb 8, 2018 at 7:19 AM Dilip H N <cy16f01.dilip at nitk.edu.in> wrote:
> 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
> 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
> So, can anybody help me regarding this..??
> Thank you.
> With Best Regards,
> Ph.D. Student
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