[gmx-users] Morse potential

[David van der Spoel]

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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