[gmx-users] Morse potential

[David van der Spoel]

On Wed, 1 May 2002, Nguyen Hoang Phuong wrote:

>
>Hi,
>
>the parameters are converted by the grompp. I use the option morse = yes
>in the mdp file. 
And did you check the tpr file, to see what dissociation energy you have?


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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