Glycerophosphocoline simulation with nmrscopeb

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    Ana Paula Candiota

    Dear all,

    I have been doing several metabolite simulations for high resolution NMR spectra with NMRSCOPE-B. Things have gone ok until arriving to glutathione and glycerophosphocoline metabolites (with pulse-acquisition sequence). Most simulations took from some seconds to few minutes. Glutathione took the whole day (about 10h) to complete. However, glycerophosphocoline takes almost 2h only to complete 1% of the simulation and the expected time to finishing simulation is around 7 whole days! I have tried in different computers and the estimation is always the same. Has someone faced the same problem? Do you propose any solution for this?
    With nmrscope, the system simply crashes.

    Thanks in advance.
    Kind regards,

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