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noid-group / BOCS

Bottom-up Open-source Coarse-graining Software
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Unable to get output out of translator for methanol tutorial #17

Closed wisecashew closed 3 years ago

wisecashew commented 3 years ago

Hello,

I am going through the methanol tutorial right now, and I am running into a problem with the translator. I ran through all the previous command from page 43 to page 44 in the manual after running the all-atom simulation. However, when I attempt to run translator with: translator -f cg_methanol_tpr.dump -s cg_methanol.tpr -o cg_methanol.btp I get the following error: 

Found .btp file extension in output file. Assuming you're translating a dumped tpr file.
ERROR: unable to read expected 3 arguments from line
    cgs_idx, cgs_start, cgs_end
         nra=1

When I run as per the command given in the tutorial, translator -ft top -fi cg_methanol_tpr.dump -ipt dump -fo cg_methanol.btp -opt bocs, I get no output.

Also, "-ft, -ipt, -fi, -fo, -opt" are options which are no where mentioned in the manual. How do I run the translator to get the btp file to do the cgmap for the entire trajectory?

I would appreciate any advice you have.