[gmx-users] -com switch in g_rdf

2012-04-24 Thread Thomas Schlesier
Using the option '-com' results in a RDF were the reference group is the center of mass (COM) of the first group. - In a system with pure benzene and using the whole system as a group, this reference point would be somewhere in the middle of the box. And choosing this group twice, would result

[gmx-users] -com switch in g_rdf

2012-04-23 Thread Andrew DeYoung
Hi, If you have time, I have a somewhat embarrassing question to ask. It is embarrassing because I feel like I should be able to understand or search for the answer, but I have not had success. So I apologize if this is a silly question (and it probably is). On the mailing list, I have read

Re: [gmx-users] -com switch in g_rdf

2012-04-23 Thread Justin A. Lemkul
On 4/23/12 5:54 PM, Andrew DeYoung wrote: Hi, If you have time, I have a somewhat embarrassing question to ask. It is embarrassing because I feel like I should be able to understand or search for the answer, but I have not had success. So I apologize if this is a silly question (and it