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pablo-arantes / making-it-rain

Cloud-based molecular simulations for everyone
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Parameters to generate the topology - Making it rain: Cloud-based molecular simulations for everyone #31

Closed KAO-KI closed 1 year ago

KAO-KI commented 1 year ago

NameError Traceback (most recent call last) in () 157 vol = float(line.split()[1]) 158 --> 159 vol_lit = vol pow(10, -27) 160 atom_lit = 9.03 pow(10, 22) 161 conc = float(Concentration)

NameError: name 'vol' is not defined Web capture_26-7-2022_222850_colab research google com

Web capture_26-7-2022_222742_colab research google com

ER6RAJY commented 1 year ago

same error

pablo-arantes commented 1 year ago

Hi all,

Can you please give more information about the error? Which system are you trying? Did you put the hydrogens in your ligand? Seems to me the issue is on the ligand topology generation. I tried here and everything worked fine for me. Follow the print:

image

Thank you.

Best,

Pablo

ER6RAJY commented 1 year ago

Hello Thanksthis is the error message that gives

Le jeu. 28 juil. 2022 à 21:20, Pablo Ricardo Arantes < @.***> a écrit :

Hi all,

Can you please give more information about the error? Which system are you trying? Did you put the hydrogens in your ligand? Seems to me the issue is on the ligand topology generation. I tried here and everything worked fine for me. Follow the print:

[image: image] https://user-images.githubusercontent.com/35934150/181629714-d5ec9f27-915f-462a-a1ba-49ed1497919f.png

Thank you.

Best,

Pablo

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KAO-KI commented 1 year ago

Problem resolved (... Did you put the hydrogens in your ligand? ...) the problem was my ligand. apologize sir.