[gmx-users] Re: Strange form of RDF curve

[shch406]

>I would have chosen the groups in the opposite manner.  You're interested in
the 
>presence of water around the chosen arginine residue, not the presence of 
>arginine around water, right?  Given this order of chosen groups, the RDF
seems 
>to make sense (very low probability that arginine is close to all water 
>molecules), though it doesn't represent what you likely want.

>-Justin

Of coarse, I'm interested in the presence of water around the arginine.
But I did reverse order of groups, i.e. I toke water as the "1 group" and
arginine sige
chain tip as the "reference group", however have obtained absolutely the
same curve.
May be there exist some peculiarity in using g_rdf dialog to select groups?

-Igor




--
View this message in context: http://gromacs.5086.n6.nabble.com/Strange-form-of-RDF-curve-tp5003001p5003088.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.