The write_data or write_restart

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1

Dear LAMMPS USERS,

First, sorry for my trivial question.
I simulated a box model includes some SPC/E water molecules inside two carbon walls to get the equilibrate state. Now I want to connect a pore element to that. To run a new simulation (box model +pore) I need to use the information obtained from the equilibrate state ( the positions and velocity data).
I wanted to apply the restart2data for converting the binary to data format but it is not included the tool directory as mentioned in this section (http://lammps.sandia.gov/doc/Section_tools.html#restart).

Can I use the data obtained from the “write_data” command or I just should use the data saved from the “write_restart” command?

Thanking in advance

2

Well, since restart2data is obsolete, you do not have any choice: you have to use write_data. It writes a data file containing all atom coordinates, velocities, etc., so it should be fine.

3

Dear Stefan and Bartlomiej,

Thank you so much for your valuable comments. ;))

Thank in advance

MajiD