Error in RNA-lig

[douaki ali]

Good morning everyone,

I'm getting an error when i run 

 gmx_MMPBSA -O -i mmpbsa.in -cs com.tpr -ct reduced.xtc -ci index.ndx -cg 3 4 -cp topol.top -o FINAL_RESULTS_MMPBSA.dat -eo FINAL_RESULTS_MMPBSA.csv

the error is "The atom 87947 in the complex index is not found in the topology file. Please check that the files are consistent." 

Thank you in advance.

[douaki ali]

[douaki ali]

[Mario Ernesto]

The groups are not correct in the command line... it would be 1 (RNA) and 2 (UNK the ligand)

El lun, 24 jul 2023 a las 4:24, douaki ali (<doua...@gmail.com>) escribió:

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[douaki ali]

Dear Mario,

Thank you for the help, now its working. 

Have a nice day.