[gmx-users] Structure factor reference

2012-08-30 Thread Tetsuo Shu
Dear gmx users. I asked question about structure factor but I got no reply. I think it's too basic question, Then instead, can any one inform me a good reference paper or book why structure factor must calculate for all atom and not specific types like O-O, O-C, like rdf does? Thank you!! Since

[gmx-users] structure factor

2012-08-18 Thread Tetsuo Shu
Dear gmx users. I am new for MD and am learning hard but need to ask simple question,,, I have co2 + water system. I understand RDF and it can calculate with g_rdf by choosing 2 species like o-o, c-o, etc. I also want to learn structure factor. But for structure factor can only choose 1 species,

[gmx-users] structure factor

2012-08-16 Thread Tetsuo Shu
Dear gmx users. I am new for MD and am learning hard but need to ask simple question,,, I have co2 + water system. I understand RDF and it can calculate with g_rdf by choosing 2 species like o-o, c-o, etc. It is good! I also want to learn structure factor. But for structure factor can only choos