AMBER Archive (2002)

Subject: Re: still having ptraj problems

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The problem seems to stem from including "reference" as the mode in the rms
command. Without it, everything works fine. Does anyone see what the
problem might be? Is there another way to compute the rms from the average?
 
>> trajin dna.crd 1001 2000 1
>> reference dna-avg.crd
>> rms reference mass out dna-rms.out *
>> trajout dna1001-2000-rms.crd
>> go

  .-. .-. .-. .-. .------------------------. .-. .-. .-. .-.
 /|||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|||/
  `-' `-' `-' `-' `------------------------' `-' `-' `-' `-'

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