[lammps-users] How to compute the rdf of two groups

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1

Again, I'm not clear on what you mean by RDF between
2 groups. I don't recall that the old fix rdf (which is now
compute rdf) was any different. As I recall it
always worked between atom types, not 2 groups.

What specific old version of LAMMPS are you referring to?

Steve

2010/10/15 jinhong zhou <[email protected]...>:

2

jinhong,

why don't you just give the atoms
in one of the groups different types,
but otherwise the same parameters?

axel.

3

Axel,

I’m not clear on your meanning .For example, I have two Oxegen types and one Nitrogen type, O1 , O2 and N.Now I put O1 O2 into one Group called O,and N into one Group called N.Then I want to calculate the rdf of N-O. So I have to calculate the rdf of two groups.But I only can set the command to compute the rdf of N-O1 or N-O2,not N-O.

Thanks a lot!
Jinhong Zhou

在 2010年10月15日 下午10:03，Axel Kohlmeyer <[email protected]>写道：

4

You can do this with the compute rdf command - see the
syntax with an asterisk, described on the doc page, e.g.

compute 1 all rdf 50 1*2 3

Steve

2010/10/16 jinhong zhou <[email protected]...>: