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Cannot use PM6 for protein
https://www.dockingserver.com/forum/viewtopic.php?f=2&t=157
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Author:  flupke [ Fri Dec 18, 2015 10:23 am ]
Post subject:  Cannot use PM6 for protein

I have purchased a subscription and cannot use PM6 setting

Author:  bikadi [ Sun Dec 20, 2015 4:11 pm ]
Post subject:  Re: Cannot use PM6 for protein

Sorry, fixed and your subscription period is extended with additional 3 days.

Author:  EckerJ [ Wed Oct 12, 2016 2:05 pm ]
Post subject:  Re: Cannot use PM6 for protein

Dear Sir,

I have purchased a 3 days subscription but I cannot use PM6 for my protein. It works only with the ligands.
How can I solve this?

Thanks in advance!

Author:  bikadi [ Thu Oct 13, 2016 5:44 am ]
Post subject:  Re: Cannot use PM6 for protein

Fixed, please try again.

Author:  EckerJ [ Thu Oct 13, 2016 8:15 am ]
Post subject:  Re: Cannot use PM6 for protein

bikadi wrote:
Fixed, please try again.


I can use it now, thank you very much!

Author:  EckerJ [ Thu Oct 13, 2016 9:02 am ]
Post subject:  Re: Cannot use PM6 for protein

bikadi wrote:
Fixed, please try again.


After I confirm the simulation box parameters, I get an error message ("Calculating protein charges and solvatation parameters (MOPAC2009) – error"). It is a heme-containing protein, the PM6 works fine with none heme-containing proteins. This is the link to the protein.

http://www.dockingserver.com/web/dockin ... ns/344276/?

Author:  EckerJ [ Thu Oct 13, 2016 11:11 am ]
Post subject:  Re: Cannot use PM6 for protein

EckerJ wrote:
bikadi wrote:
Fixed, please try again.


After I confirm the simulation box parameters, I get an error message ("Calculating protein charges and solvatation parameters (MOPAC2009) – error"). It is a heme-containing protein, the PM6 works fine with none heme-containing proteins. This is the link to the protein.

http://www.dockingserver.com/web/dockin ... ns/344276/?


It works with a heme containing protein (3H34), so maybe there is a special problem with my structure (1B80). There are 2 similar structures (1B82, 1B85) but the same error message appears. They were downloaded directly from the RCSB database.

Author:  bikadi [ Tue Oct 18, 2016 12:40 pm ]
Post subject:  Re: Cannot use PM6 for protein

PM6 charge calculation on proteins is very sensitive for the smallest structural problems, it is very difficult to find out the reason for an error.

Author:  mochammad.ichsan [ Tue Nov 08, 2016 6:18 am ]
Post subject:  I also can not use PM6 for protein

Dear Sir,

I have purchased a month subscription but I cannot use PM6 for my protein. It works only with the ligands.
How can I solve this?

Thanks in advance!

Author:  bikadi [ Tue Nov 08, 2016 7:22 am ]
Post subject:  Re: Cannot use PM6 for protein

Thank you for letting us know - fixed!

Author:  Siddhartha Kundu [ Sat Jul 22, 2017 12:18 am ]
Post subject:  Re: Cannot use PM6 for protein

Hi, I have an extended subscription (33 days), but do not have access to the PM6 set.

Thanks (email: siddhartha_kundu@yahoo.co.in)

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