chris.ne...@utoronto.ca wrote:
The inability to search the archives is certainly leading to some
redundancy. I use google now, it does a decent job of digging up stuff
from the gmx mailing list archives -- Even the oldwww search link takes
me to the new site inside of the iframe so that is no use.
I suggest that the search link on www.gromacs simply link out to google
for now as the current search doesn't appear to work.
Good idea. I've posted this information a few times, but in case anyone's
missed it, the archive *can* still be searched from the "old" site:
http://oldwww.gromacs.org/swish-e/search/search2.php
Same old familiar interface :)
-Justin
In any event, the answer is here:
http://oldwww.gromacs.org/pipermail/gmx-users/2006-September/023872.html
http://oldwww.gromacs.org/pipermail/gmx-users/2006-September/023875.html
Chris.
-- original messsage --
I am trying to solvate a peptide which has an acetylated N-terminus in the
opls-aa force field. Running pdb2gmx (v. 4.0.2) gives me the following
error:
Error 1
No default Ryckaert-Bell types.
The guilty atoms in the topology are 4 atoms at the N-terminus. This issue
has been raised before as well in the mailing lists.
Is there a way to fix this?
thank you
-Maria.
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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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