ptraj

From: Ioana Cozmuta <ioana.nas.nasa.gov>
Date: Mon, 7 Jul 2003 12:06:13 -0700 (PDT)

Hi,

I want to do a rdf calculation using ptraj for water and I want to do it
for all the atoms and also only for the Oxygen atoms. What is the way to
define that in the ptraj input file
is it
:RESNAME
O:RESNAME

Thank you,
Ioana
Received on Mon Jul 07 2003 - 20:53:01 PDT