[gmx-users] Incomplete ring

David van der Spoel spoel at xray.bmc.uu.se
Thu Jun 17 21:09:16 CEST 2010

On 2010-06-17 21.06, you zou wrote:
> Hi Users,
> I have a .pdb file, in this file when I want to use pdb2gmx command
> there is this error massage:
> Fatal error:
> Incomplete ring in HIS680
> this aminoacid is not complete in general, I don't know how can I
> complete this such that I don't add HIS for complete? Please give me a hint.
add the missing atoms with emacs (or another text editor). Then minimize.
> Thank you
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David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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