Hello Axel,
I had built a system in VMD using the topo tools. The system consists of graphene walls and water molecules. The water molecules were available earlier in lammps data format and I had used the topo readlammpsdata to open those molecules in VMD. The graphene walls were built by using the nanotube builder available in VMD. But whenever I use the command topo writelammpsdata, the data file only contains the water molecules.
I had built the system in the following way:
1.From VMD, generated a single graphene sheet, saved the coordinates and then replicated them to my desired coordinates (orientation) .
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selected the graphene sheets by the set command [atomselect top all]
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set the mass, type and name.
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read the lammpsdata file of water molecules.
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then again selected all the atoms by the set command.
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wrote the lammpsdata file. However it seems only the water molecules are present!
Could you please advise me how to select all the atoms and write them into a single data file?
Thanks and Regards,
Deepak