GROMACS files not seen
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Hi
I have a problem with Gromacs extension.
I performed a simulation with a protein and I can see the files generated in the gromacs folder in Appdata/Local/OneAngstrom/Scratch/GROMACS/Generated Files.
The problem is that suddenly the files DISAPPEAR and I can not find them. Is this a problem with the software or with my computer. But I tried on 2 computers and same happens.Thank you
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Dear @Sherif-0 ,
These files are internal files used to perform GROMACS computations in GROMACS Wizard - they are deleted once the job is finished or before the next job is started. The results of the computations are loaded directly in SAMSON.
Do you want to preserve these files?
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I dont understand. So how can I keep the files of simulation to be used for further analysis.
how can i save the topology files and plots and other files -
Ok, we will add to GROMACS Wizard the possibility to save GROMACS results in a specified folder in the upcoming days.
You can save the plots directly from GROMACS Wizard.
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yes that will be great because i can see that the generated plots after md run is only RMSD and Rg..If i want to generate RMSF for example hopw can I do it if i dont have the generated files... thank you
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Dear @Sherif-0 ,
Can you please tell us what plots do you want to have?
Thank you -
there is RMSF and hydrogen bond
