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 Post subject: Cannot use PM6 for protein
PostPosted: Fri Dec 18, 2015 10:23 am 

Joined: Mon Dec 07, 2015 12:21 pm
Posts: 1
I have purchased a subscription and cannot use PM6 setting


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 Post subject: Re: Cannot use PM6 for protein
PostPosted: Sun Dec 20, 2015 4:11 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
Sorry, fixed and your subscription period is extended with additional 3 days.


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 Post subject: Re: Cannot use PM6 for protein
PostPosted: Wed Oct 12, 2016 2:05 pm 

Joined: Wed Aug 19, 2015 1:48 pm
Posts: 4
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!


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 Post subject: Re: Cannot use PM6 for protein
PostPosted: Thu Oct 13, 2016 5:44 am 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
Fixed, please try again.


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 Post subject: Re: Cannot use PM6 for protein
PostPosted: Thu Oct 13, 2016 8:15 am 

Joined: Wed Aug 19, 2015 1:48 pm
Posts: 4
bikadi wrote:
Fixed, please try again.


I can use it now, thank you very much!


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 Post subject: Re: Cannot use PM6 for protein
PostPosted: Thu Oct 13, 2016 9:02 am 

Joined: Wed Aug 19, 2015 1:48 pm
Posts: 4
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/?


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 Post subject: Re: Cannot use PM6 for protein
PostPosted: Thu Oct 13, 2016 11:11 am 

Joined: Wed Aug 19, 2015 1:48 pm
Posts: 4
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.


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 Post subject: Re: Cannot use PM6 for protein
PostPosted: Tue Oct 18, 2016 12:40 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
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.


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 Post subject: I also can not use PM6 for protein
PostPosted: Tue Nov 08, 2016 6:18 am 

Joined: Tue Oct 25, 2016 12:11 pm
Posts: 1
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!


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 Post subject: Re: Cannot use PM6 for protein
PostPosted: Tue Nov 08, 2016 7:22 am 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
Thank you for letting us know - fixed!


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 Post subject: Re: Cannot use PM6 for protein
PostPosted: Sat Jul 22, 2017 12:18 am 

Joined: Thu Jul 20, 2017 4:56 am
Posts: 6
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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