Issues regarding scripts to run MD Simulation

[nilanjana1996]

I was trying to use the Google colab based Notebook "Making it Rain" to perform molecular dynamics simulation of one of my proteins with the small molecule inhibitor. But I am getting issues in te following line. I was wondering if you could help me with this.

!grep "Volume:" leap.log > temp.txt
with open("temp.txt", 'r') as f:
for line in f:
vol = float(line.split()[1])

vol_lit = vol * pow(10, -27)
atom_lit = 9.03 * pow(10, 22)
conc = float(Concentration)
num_ion = int(vol_lit * (conc/0.15) * atom_lit)

if Ions == "NaCl":
pos_neut = "Na+ 0"
pos_num = "Na+ " + str(num_ion)
Cl_num = num_ion
else:
pos_neut = "K+ 0"
pos_num = "K+ " + str(num_ion)
Cl_num = num_ion

I would be grateful if you kindly let me know how to get past this issue.
Thank you. The screenshots are attached for your referecne.

Thank you
Best regards

[noumanistic]

Sir did you found any solution to this problem?
I am facing the same issue.

[havid97]

i am facing the same issue