See the file-style variable command, on the variable
doc page.
And please post to the list, not to me personally.
Steve
I use variable file-style , atom-style to read file
vor.txt has this format
1
3
5
7
8
that these number are ID-atom that earned from MATLAB
commands are used :
variable ff file vor.txt
variable ff3 atom v_ff
group tes variable ff3
but “tes” group isn’t included atoms that distinct in vor.txt file.
I use variable file-style , atom-style to read file
vor.txt has this format1
3
5
7
8that these number are ID-atom that earned from MATLAB
commands are used :
variable ff file vor.txt
variable ff3 atom v_ff
group tes variable ff3but "tes" group isn't included atoms that distinct in vor.txt file.
why should it? the documentation says:
The variable style evaluates a variable to determine which atoms to
add to the group. It must be an atom-style variable previously defined
in the input script. If the variable evaluates to a non-zero value for
a particular atom, then that atom is added to the specified group.
but ff3 has to be non-zero for all atoms, i.e. have you checked what
value "ff3" has?
axel.
ff3 show all atoms in simulation
in the other hand I want "tes’ group to show all atom distinct in ‘vor.txt’ but ‘tes’ include all atom in simulation.
To add to what Axel said,
if you want to read an atomfile-style variable
from a file and use it to define what atoms will
be in your group, then you have to define
the file in the required syntax, described on
the variable doc page. This looks like lines with
atom-ID value
So if you listed all the IDs in the file that you
want, followed by the value = 1, then you
should be able to read that into a variable,
which can then be used by the group command
to flag the atoms to add to the group.
Steve