[gmx-users] code to compute Hessian.

David van der Spoel spoel at xray.bmc.uu.se
Wed Oct 9 17:58:09 CEST 2002

On Wed, 9 Oct 2002, Nguyen Hoang Phuong wrote:

>Dear All,
>I would like to have a quick look at the codes which used to calculate the
>Hessian and print out the matrix elements. I would be nice if someone tell
>me where they are. Thanks a lot.
routine do_nm in file  src/mdlib/minimize.c

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Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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