To anyone who can help..
I'm trying to use the ANAL program to analyze output from an MD run. I
have one major problem and one secondary question.
My main problem is that my input crd file from MD contains data in 10
columns. ANAL does not like this and won't accept it. However, it does
seem to take my 6 column crd file which I obtained from minimization. Is
there a flag I can use to get ANAL to accept the 10 column file format?
My second question is - is the ANAL program designed to handle more than
one set of coordinates from a MD crd output file? Or do I have to write
code which will break it down into individual files for each time step of
the MD simulation?
I would be appreciated of any assistance in these two problems.
Sincerely,
John Finke
UCSD Dept. of Physics
jfinke_at_ucsd.edu
Received on Thu Jun 28 2001 - 18:04:52 PDT
