I have done a MD simulation and would like to examine the normal vector as
a function of time for three different atoms in the same residue. I
am trying to do this using CARNAL. From the manual, and my own attempts,
I gather that the vector formed by the PLANE command is not a MEAS that
can be output. Alternatively, I could just output the coordinates of the
three atoms as a function of time and calculate the vector myself. I
assume this is done by a GROUP command following the DECLARE statement and
an additional statement following the OUTPUT command. I cannot get this
to work. Could someone point me in the right direction to outputting the
coordinates as a function of time?
Thanks,
Ed Pate
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Received on Fri Apr 15 2005 - 17:53:00 PDT
