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Gmx genion -s proteinions.tpr -o proteinions.gro -p protein.top -pname NA -nname CL -neutral
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grompp
Snigdha
July 18, 2022, 11:45am
3
Thanks a lot for the guidance, I added CL to ions.itp file inside charmm and got the results…:)
ERROR 1 [file topol.top, line 62]: No such moleculetype CL
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