Simulation software

Karen Ann Smith (kasmith@iastate.edu)
Thu, 16 Feb 1995 16:08:14 CST

Thank all of you who responded to my question about data transfers from
Aspect 3000s to SGIs. The summary is: there is no good, cheap way. I
asked specifically about NMRLink, and no-one else seems to be using
this. when we finally get this working, I will post the solution.

Today's question:

I have a student who feels compelled to do some simulations. Fairly
simple stuff, 6 or 8 spins, some spin 1/2, some spin 1. We have tried
to use some of the programs in Tripos' NMRi software, but are having
little luck. Does anyone have any recommendations for (inexpensive)
software that will do such simulations, and compare them to data (in
UXNMR format)?

Thanks a lot,

Karen Ann

Karen Ann Smith kasmith@iastate.edu
Chemical Instrument Services (515) 294-4057
Iowa State University Ames, IA 50011
(Insert favorite quote here)