Multiple pbc options for gmx trjconv?

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1

GROMACS version: gromacs/2018.1-openmpi3-5ds3yf7
GROMACS modification: No
I am wanting to use multiple pbc options when converting the trajs of my simulation, namely “mol” and “nojump”. Can this be done? And if so, how?

I have tried a few different ways already:
“-pbc mol nojump” --> received error “too many values”
“-pbc mol -pbc nojump” --> received error “option specified multiple times”

2

You can only specify one type of PBC operation. If you want/need multiple types of PBC correction, they have to be done in separate, sequential, invocations of trjconv.

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