[gmx-users] Morse potential

David van der Spoel spoel at xray.bmc.uu.se
Wed May 1 21:13:54 CEST 2002

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

>Dear All,
>Does anyone have experience in the simulation with bonds of the solute
>molecules are represented by a Morse potential? The program runs OK if the
>harmonic potential is use but it is crashed by the Morse potential at the
>first step with the message:
>MPI process rank 0 (n0, p9330) caught a SIGSEGV. 
That shouldn't happen, but it can if the physics is weird. What parameters
do you use now?

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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