VMD-L Mailing List

From: cipitaua_at_gmail.com
Date: Tue Apr 22 2008 - 09:30:37 CDT

Hello,

I noticed that the first peak of a g(r) calculation with the vmd
extension is slightly shifted respect to the expected value.
Check this out with a very well ordered structure (for example
graphene).
In my case (cristalline silicon nanoclusters) it gives 2.70 instead of
2.43.

Anyone confirms?

Thanx,
Rob.