Joseph Johnson wrote:
I've tried multiple times to make a pdb file that will work with
pdb2gmx. I've even drawn the molecule into PRODRG but the structure
will still not work. I simply want a poly(benzyl-L-glutamate) with 5
repeat units. How in the world can I get this to work?
If it is a repeat unit then you can define the constituent building blocks
within the corresponding .rtp file. The PDB file is not likely the problem, but
if you want more useful help, you'll have to describe the difficulty you're
having fully, including real error messages and snippets of the relevant
structure and .rtp entries.
-Justin
Thank you for your time.
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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