CHARMM Development Project
Posted By: Jeff Polasek 44b1 source code question - 12/06/21 09:42 PM
Howdy,

I support a group that uses CHARMM. The group needs to perform some additional calculations on a project that used CHARMM 44b1. We need to re-compile this version, but do not have the source code.

What is the best way to get the source code for this version?

Thanks
Jeff
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Jeff Polasek
Sr. IT Pro I
College of Engineeing
Texas A&M University
Posted By: rmv Re: 44b1 source code question - 12/06/21 09:53 PM
For information on obtaining CHARMM source code, see this page
Posted By: Jeff Polasek Re: 44b1 source code question - 12/08/21 07:53 PM
I used the email link to request access to 44b1, but haven't received any reply. Is there another way to contact them?

Thanks
Jeff
Posted By: rmv Re: 44b1 source code question - 12/09/21 04:48 PM
I'm not sure; all I know is that the Karplus group at Harvard handles the public code distribution.
Posted By: lennart Re: 44b1 source code question - 12/11/21 06:11 PM
I just tried the link "charmm provides all of the functionality can be downloaded for free for academic users." on the page indicated in Rick's post, then followed the link "register here". A few minutes after having filled in the form I got an email with download instructions.
Posted By: Jeff Polasek Re: 44b1 source code question - 12/14/21 01:53 PM
Following the link in Ricks post, I get instructions for downloading CHARMM 46, I need to download CHARMM 44b1
Posted By: charlesbrooks Re: 44b1 source code question - 12/14/21 02:31 PM
Hi Jeff, I am not sure why you think you need a particular version of CHARMM, does the group no longer have access to the code they had previously? Can you be more specific what in c44b1 is required which is different/not present in the current b version?
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