AMBER Archive (2002)

Subject: ptraj problem

From: Jake Isaacs (rjisaa0_at_uky.edu)
Date: Tue May 21 2002 - 16:20:02 CDT

I can't seem to get ptraj to output rms values from a trajectory. Here is
my input script:

trajin dna1001-2000.crd 1001 2000 1
average dna-avg.crd
reference dna-avg.crd
rms reference mass out dna-rms.out
trajout dna1001-2000-rms.crd
go

The problem is that dna-rms.out never gets created, much less written to.

  .-. .-. .-. .-. .------------------------. .-. .-. .-. .-.
 /|||X|||\ /|||X|||\ / Richard J. (Jake) Isaacs \ /|||X|||\ /|||X|||\
X|||/ \|||X|||/ \|||X Department of Molecular X|||/ \|||X|||/ \|||X
 `-' `-' `-' `-' \ & Cellular Biochemistry / `-' `-' `-' `-'
 .-. .-. .-. .-. / University of Kentucky \ .-. .-. .-. .-.
X|||\ /|||X|||\ /|||X 800 Rose St. X|||\ /|||X|||\ /|||X
 \|||X|||/ \|||X|||/ \ Lexington, KY 40536-0084 / \|||X|||/ \|||X|||/
  `-' `-' `-' `-' `------------------------' `-' `-' `-' `-'