wiki:FAQ

Version 18 (modified by dtodd, 10 years ago) (diff)

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Vespa - Simulation FAQ Page

At the moment, only the Simulation application has been released for beta testing. Thus we have chosen to put all FAQs here at the top level of the project to make them more accessible for users. As all three applications are release, questions specific to each application will be relocated to a FAQ on the application's wiki.


Index

How do I download Vespa?

How do I install Vespa?

Where do I find the Simulation User Manual?

Where can I read more about NMR simulation and processing?

Why does Simulation appear to hang or slow down for large spin systems?


Questions and Answers

How do I download Vespa?

You can download Vespa from the Downloads page.

How do I install Vespa?

Complete instructions for installing Vespa are on the Installation? page.

Where do I find the Simulation User Manual?

The User Manual documentation for the Simulation application is included in PDF format under the docs/ directory in the package that you downloaded. It can also be accessed directly here.

Where can I read more about NMR simulation and processing?

Here is a list of references for spectral simulation and processing?

Why does Simulation appear to hang or slow down for large spin systems?

Simulation relies on the GAMMA package. When doing calculations with a spin of 8,9, or 10, your system may appear to slow down or even hang. At a spin count of 7, a single FID experiment takes 0.4 seconds, but at spin 10 it takes 1 hour and 24 minutes (on a 2.66 GHz Intel machine). Here is a list of results for various spin sizes. The "slow down" may be compounded if doing a large number of individual simulations for different timings (or spacial locations). The time it takes to run these specific jobs is virtually identical in Gamma, as there is little overhead compared to the time of the calculations.