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Free CHARMM
#36313 04/20/17 12:04 PM
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rossi Offline OP
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Good Morning CHARMM Administrators.

Would it be possible to affix the CHARMM version along with the ability to download a free version of CHARMM?

For example, I downloaded a free version of CHARMM about a year ago, and I would like to upgrade if that is possible.

I know that newer versions of CHARMM are available every year or so, and I would like to take advantage of a newer version.

Can you please state the policy of upgrades with respect to the free version of CHARMM?

Thanks so much for your help with this.

Kind regards,

Angelo

Re: Free CHARMM
rossi #36316 04/20/17 09:35 PM
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Distribution and licensing is managed by Harvard, so you'll probably have to contact them directly at charmm_development_project@tammy.harvard.edu

The latest release is c41b2.


Rick Venable
computational chemist

Re: Free CHARMM
rossi #36317 04/20/17 09:47 PM
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You can always download the most recent version of free CHARMM here:
http://charmm.chemistry.harvard.edu/charmm_lite.php


Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden
Re: Free CHARMM
rossi #36318 04/21/17 11:43 AM
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rossi Offline OP
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Thanks.

Maybe, if I took the time to look at the web page listed above, I would have seen that it is the latest version, AND that is what is offered, AND the release version is given.

By-the-way, I got the CHARMM <---> Gaussian interface running for the latest release of CHARMM. I ran it on a transition metal complex, QM--> Fe(BPY)_3 2+ (Fe, tzvp, ligands: 6-31g*) + MM--> 557 H2O molecules + ions for neutralization with RHDO) on one node with 24 cores. I have a job pending for 2 nodes/48 cores. The G09 input has the line %NProcShared=24 (i.e. one node). I am hoping the two nodes will work on the CHARMM (MM) component.

I can supply the fixes, if you want.

Thanks again,

Angelo


Moderated by  chmgr, John Legato, lennart 

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