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Error at equilibration step, unable to access the topol.top file

Browse QuestionsCategory: QuestionsError at equilibration step, unable to access the topol.top file
Mallari Praveen asked 1 year ago

Dear Bioinformaticsreview, I am learning to perform simulations in Gromacs through your uploaded tutorials. I appreciate your content and explanation on the webpage and the youtube channel. while practicing by watching the video, I am getting errors at the equilibration step as follows: Error in user input:Invalid command-line optionsIn command-line option -rFile name \’topol.top\’ cannot be used for this option.Only the following extensions are possible:.gro, .g96, .pdb, .brk, .ent, .esp, .tpr but in the uploaded video tutorial in the youtube, \’topol.top\’ file was accessed. Can you please inform me how and at which I have to rectify to solve that error?   Thank you, Mallari Praveen.  

1 Answers
Dr. Muniba FaizaDr. Muniba Faiza Staff answered 1 year ago

Hi,
It’s difficult to understand your issue. Can you please provide a screenshot of your error?
 

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