AMBER Archive (2003)

Subject: ptraj

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Mon Jul 07 2003 - 14:06:13 CDT

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