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|||/
`-' `-' `-' `-' `------------------------' `-' `-' `-' `-'
Received on Tue May 21 2002 - 14:20:02 PDT
