Dump

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1

Dear users,

I have 100 molecules in a box. But I want to dump the informations of 20 molecules only, and I know the mol IDs. Can it be possible without defining region and/or group in current lammps framework ?

2

Dear users,

I have 100 molecules in a box. But I want to dump the informations of 20 molecules only, and I know the mol IDs. Can it be possible without defining region and/or group in current lammps framework ?

Not to my knowledge.

3

There is a dump_modify thresh command, which
can be used multiple times, to limit output for the
dump custom style.

Steve