AMBER Archive (2004)

Subject: AMBER: The first and second derivatives

From: Johnson Agbo (agboj_at_chem.unr.edu)
Date: Fri Jun 18 2004 - 13:08:49 CDT

Dear All;
I have been trying to locate the (.f) files that compute the
derivatives required in nmode. I searched through the nmode directory
but I could not locate it, I am thinking it would be the routine
"pol2der" but unfortunately I could not locate this too, I found the
derivs .f files in the gibbs directory but its like that is computing
something else. Please direct me to the location of the exact program
files.
Thanks.

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