[MMTK] coordinates

SUNIL KUMAR SHUKLA sunilks@che.iitb.ac.in
Mon, 25 Nov 2002 10:58:37 -0500 (GMT)


Sir
i have seen config.py file in that what i am geting is that it takes
automatically position of the coordinates from the 3 D structure.
Sir can u tell me which algorithm should be used to minimese the
structure.
i have heard about steepest distance and conjugate method.
can u please give me the refernec where i can read method and how to
implement them in detail.
thanks
regards



SUNIL KUMAR SHUKLA
CHEMICAL ENGG.
229, HOSTEL-6
INDIAN INSTITUTE OF TECHNOLOGY,BOMBAY
MUMBAI