[gmx-users] matrix element of Hessian.

[David van der Spoel]

On Mon, 2002-07-15 at 11:29, Nguyen Hoang Phuong wrote:
> 
> Dear All,
> 
> I would like to have a look at the matrix elements of the Hessian
> (generated by nmrun). Does anyone know how to do that? Thanks in advanve.
Yes, rename the .mtx file to .trr and use gmxdump

> regards,
> 
> Phuong
> 
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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://zorn.bmc.uu.se/~spoel
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