[gmx-users] pdb file for ammonia

[Justin A. Lemkul]

nishap.patel at utoronto.ca wrote:
> Does anyone know where I can get a pdb file for ammonia? I tried 
> searching but I am not sure if there is a website for the pdb files I 
> can use in gromac. Any suggestions would be helpful.
> 

For something simple like ammonia, you could probably just write the coordinates 
from basic geometry.  Failing that, parse out the coordinates of an 
appropriately-protonated lysine residue in a protein structure.

-Justin

> Thanks.
> 
> Nisha
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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