VMD-L Mailing List

From: siladitya mukherjee (mukherjeesiladitya_at_gmail.com)
Date: Thu Mar 01 2012 - 16:38:54 CST

Hi,

I am trying to calculate RDF from a xyz file in VMD, but the error I am
getting is "error measuring gofr", unit cell volume is zero. I am using PBC
for the calculation and also included the command pbc set {Lx Ly Lz}, so I
specified my box lengths also which is required when I am using PBC in RDF
calculation. I can't understand whether there is any other thing I need to
do for calculating RDF from xyz file, because I got correct RDF by
following the exact same procedure with mol2 and dcd files. Any help
regarding this matter would be appreciated.

Thanks,
Siladitya