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.
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.
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
