From: Albert (mailmd2011_at_gmail.com)
Date: Tue Mar 13 2012 - 00:35:36 CDT

HI John:
    I found that the residue number is odd and messy for some of them.
After I renumber them in correct way, the problem solved
best
Albert

On 03/12/2012 10:43 PM, John Stone wrote:
> Albert,
> Thanks for the followup. What was it in the PDB structure that
> was causing the problem? This would be helpful to know for future reference.
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Mon, Mar 12, 2012 at 10:18:11PM +0100, Albert wrote:
>> Hi John:
>> thank you very much for kind messages.
>> I tried many other cases, and they works fine. And the problem comes
>> from the PDB file I used because there are some errors in the structure.
>> After I fix it, everything goes well.
>>
>> best
>> Albert
>>
>>
>> On 03/12/2012 09:44 PM, John Stone wrote:
>>> Albert,
>>> Can you zip or tar up all of the files needed to reproduce the problem
>>> and send a copy to Michal (the propka GUI author) and myself? I'm CCing
>>> Michal on this email so he is aware of the discussion before you send
>>> us the files.
>>>
>>> Michal, let us know if you need additional information.
>>>
>>> Cheers,
>>> John Stone
>>> vmd_at_ks.uiuc.edu