DNTMC

Clicked A Few Times	3:32:06 PM PST - Thu, Feb 7th 2013 Hi, I'm wondering if I could use the DNTMC module for determining the preferred orientation of a cluster of molecules or is there a better way to do this within NWCHEM? Thanks

Forum Vet	11:53:27 AM PST - Mon, Feb 25th 2013 DNTMC is not the right module for this. You could simply optimize the geometry to fine the preferred orientation. If you do want to use monte-carlo sampling, we do not have this functionality in the code.

Clicked A Few Times	10:47:44 AM PST - Fri, Mar 8th 2013 OK and yes I wanted to do monte-carlo sampling. Thanks for the response

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