[email protected] 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
--
========================================
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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