Issue Regarding fitVisc.py

[RiverEric]

Hi Mike,

Thanks for the great code! I found that in fitVisc.py, the 'cut' in the following code should have an initial value of start+1 instead of 1. Because the huge fluctuation in the first 2 ps may result in a value of ''' cut ''' that satisfies condition '''stddev[cut] > 0.4*visc[cut]''' but less than '''start'''. And this may result in empty arrays for function fitting. What do you think? Again, thank you for your work.

''' while not foundcutoff and cut<len(visc):
if stddev[cut] > 0.4*visc[cut]:
foundcutoff = True
else:
cut += 1
'''

[mike5603]

That makes sense to me, but I would be concerned that if the standard deviation is already that high that early the calculations would be difficult so more or longer runs may be necessary.

[mike5603]

feel free to make the change