[gmx-users] Morse potential

David van der Spoel spoel at xray.bmc.uu.se
Tue Apr 30 17:42:35 CEST 2002

On Tue, 30 Apr 2002, Nguyen Hoang Phuong wrote:

>Dear All,
>I would like to use the Morse potential for my molecule. I set the
>function type is 3 in the topology file. I run the program grompp and I
>got the warning: 
>No default Morse types, using zeroes
That means you have to supply force field parameters, or use the mdp
option to convert your normal bonds to morse potentials (which uses a
conversion specified in the manual).

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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