nMOLDYN

I was calculating the dynamic incoherent scattering factor for a simulation with 8693 frames. But that was extremely slow - estimated time 24 days. Then I realized that the DISF calculation probably uses FTT and 8693 is a prime number. If I included 1 frame less the largest prime factor was reduced by 8692=2*2*41*53 and the calculation time was 7 hours.

Maybe this is trivial for experienced users. But it would be nice to have a feature which offered to optimize the number of frames for low prime factors if they exceed a certain limit