unanswered Can not convert my .coarse grained file (.gro) to all atom

  • Marlet
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4 years 4 months ago #8332 by Marlet
Dear all,

I am having trouble when I try to convert my .gro file (coarse grained) into all atom file . When I execute the following command:
./initram-vsh.sh -f X.gro -o X.gro -to charmm36 -p protein.top

I got the error: Key error 'Protein_A".

I wonder if this error comes from the .top file, or if there is any way to fix this.

Thanks in advance and best regards,

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