AMBER Archive (2000)

Subject: CARNAL Code

From: crwatts_at_creighton.edu
Date: Tue Mar 21 2000 - 20:25:17 CST

Dear Colleagues:
        The CARNAL module of AMBER has an option where you can compare the
pairwise RMSD's for two streams of conformations generating a triangluar
matrix containging all of the pairwise measurements. Currently this can
only be done with two streams containg equal numbers of conformers. Does
anybody know how to modify the C code or where in the C code a
modification can be made to generate a square matrix for comparing two
streams containing different numbers of conformers?

Regards,

Charles R. Watts, Ph.D. ************************************
Research Assistant * *
Department of Biomedical Sciences * An appeaser is one who feeds *
Creighton University * a crocodile, hoping it will eat *
School of Medicine * him last. *
2500 California Plaza * *
Omaha, NE 68178 * -Winston Churchill *
phone: (402) 280-2210 * *
Fax: (402) 553-8841 * *
E-Mail: crwatts_at_bluejay.creighton.edu ************************************