[gmx-users] editconf and "conect" option

[David van der Spoel]

On 2013-12-11 20:46, Steve wrote:
> Hello
> I am trying to have gromacs (using editconf) write a connect section to my
> pdb file, but it keeps failing giving me a strange error about using an old
> gromacs version 2 when making my pdb file. This is erroneous. I don't even
> have that version..I'm sure I'm using the command line incorrectly. Here is
> what I have:
>
> $editconf -f name.pdb -o name2.pdb -conect
>
> I have a topology file in my working directory.
>
> I searched on line and in the forum, but can't find any info. Did I miss it?
>
> I would really appreciate any help.
>
try it with a tpr file as input (containing the bonds).

and copy the error message to your mail.

> Thanks, Steve
>
> --
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> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
>


-- 
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