leila karami wrote:
dear Mark
your opinion is right [residue number 1 is NGLY in pdb file but residue
number 1 is GLY in warning].
howbeit, what work should I do?
Can you post an actual copy-and-paste snippet from your .pdb file? So far, you
have shown a few re-typed parts of lines that, in theory, should work, but
obviously are not. I suspect a formatting problem might be the issue.
Preserving the start position of the residue name and the spacing within all the
atom information is important, and is the only reason I can think of that NGLY
gets truncated to GLY when pdb2gmx reads the file.
-Justin
--
========================================
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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