[gmx-users] Morse potential

David van der Spoel spoel at xray.bmc.uu.se
Wed May 1 21:38:21 CEST 2002

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

>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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