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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