VMD-L Mailing List

From: Fred Moore (moore_at_whitman.edu)
Date: Fri Jul 13 2007 - 15:16:40 CDT

Greetings

I'm running the latest version on a macintosh pb 12" powerpc with the
latest osx.

I'm trying to calculate RDF functions from the analysis menu. I've
a .pdb file with names atom names

C1, CL1, CL2, CL3, H and 20,000 frames of simulation.

The simulation box is 40, 40, 80 angstroms in x,y,z

In the RDF box that pops up I set

Selection 1: name C1

Selection 2: name C1 and ((z>22.9 and z<57))
                
It comes back with "g(r) calculation successful, 20000 frames
processed, 0 frames skipped)"

BUT

if Selection 2: name C1 and ((z>23 and z<57))

                
It comes back with "g(r) calculation successful, 0 frames processed,
20000 frames skipped)"

sigh!

Any ideas? I'd like to be able to select z criteria closer to the
center of the z axis, but so far I'm stymied.

Thanks,

Fred M.