> The "ptn3rig.pdb" doesn't give problems, and "ptn8rig.pdb" yes...
The '3' file is one line shorter than the '8' one?
Bill
On 11/8/19 3:31 AM, MYRIAN TORRES RICO wrote:
>
> Hi,
>
> I have a problem with tleap, this error appears:
> .
> .
> .
> Building topology.
> Building atom parameters.
> Building bond parameters.
> Building angle parameters.
> Building proper torsion parameters.
> !FATAL ERROR----------------------------------------
> !FATAL: In file [unitio.c], line 1783
> !FATAL: Message: 1-4: cannot add bond 2245 2246
> This may be caused by duplicate bond specifications;
> for example, explicit bond commands in addition to PDB conect records.
> !
> !ABORTING.
>
>
> I have looking for about this error and it seems that a problem with
> the connects in my ligand in the pdb, but I have compared two pdb
> corresponding at the same molecule (ligand and complex), and I haven't
> find differents. I have attached both pdb for you to help me.
> The "ptn3rig.pdb" doesn't give problems, and "ptn8rig.pdb" yes...
>
> What can I do to resolve this problem? I have proved a lot of changes
> and nothing work it...
>
> Thanks in advance,
>
>
> Myriam
>
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Received on Fri Nov 08 2019 - 04:30:02 PST
