SIMPSON and SIMMOL are software packages for simulation of multi-spin and multi-dimensional NMR experiments and for specification and visualization of anisotropic spin interactions in biomolecular NMR.
This SIMPSON - SIMMOL Discussion Forum is the place where users can exchange ideas, ask questions, and where information on new releases of SIMPSON and SIMMOL will be provided.
(I have changed the membership policy from open to restricted such that new members should be approved before posting emails. This is to prevent the increasing amount of spam mails that have been posted in the group recently.
To become a member you just have to sign in and explain very briefly your interest in NMR and SIMPSON/SIMMOL... I hope this will prevent new spam members from signing in.)
Hi everyone, I'm trying to simulate a 2D Heteronuclear Correlation sequence found in this paper: R. Fu et al 2007, Journal Magnetic Resonance 118 41-48. I'm
Hi You can call fsimpson with a list of commands, e.g., set f [fsimpson [list [list shift_1_aniso $csa] [list shift_1_eta $eta]]] and then make two loops over
Hi Everyone, I want to generate a two-dimensional grid of CSA lineshapes with delta and eta. Is it possible to do that with SIMPSON? What is the command?
Hi, Thanks for your response. The following code seems to be working. ... proc pulseq {} { global par maxdt 2.5 set t180 [expr 0.0555e6/$par(spin_rate)] set
Looks to me like it's just a logic problem. Your code skips the if {} when t1=1, so your first propogator 4 is null, but gets time indexed for the beginning of