I am trying to read the atom co-ordinates from a file.
When I replace these lines
lattice fcc 3.986
region box block 0 7 0 2 0 3
create_box 1 box
create_atoms 1 box
I get NAN for all quantities (T, P, vol, etc)
Am I missing a required command?
The atoms.txt file has is attached and has defined bounds for
calculation domain, atom types, no. of atoms followed by the
0 27.902 xlo xhi
0 7.972 ylo yhi
0 11.958 zlo zhi
1 atom types
It seems that the co-ordinates are being read as I can print them out
through dump command and view them in VMD.
Thanks a lot
in.Alpc (578 Bytes)
atoms.txt (6.18 KB)