RE: [gmx-users] about rdf

2010-09-07 Thread Dallas Warren
> > 1- Actually since I was focusing on rdf for C-C I didnt explain my > > understanding from that post well. Anyway, I have only C and H in the > > system and no protein. You mean I have to make separate groups of C > and > > H for all polymer chains by hand? I trying to find a more smart way > of

Re: [gmx-users] about rdf

2010-09-07 Thread Justin A. Lemkul
Moeed wrote: Hello Justin, 1- Actually since I was focusing on rdf for C-C I didnt explain my understanding from that post well. Anyway, I have only C and H in the system and no protein. You mean I have to make separate groups of C and H for all polymer chains by hand? I trying to find a m

Re: [gmx-users] about rdf

2010-09-06 Thread Justin A. Lemkul
Moeed wrote: Hello, 1- In the manual I see rdf plot for Oxygen-Oxygen of SPC-water. I think this shows the average O-O density between all water molecules. I read a post saying that rdf is calculating C_C distances for each C on chain 1 for instance and all other C on the chain and other c