[gmx-users] some problems by freshman

[David]

On Thu, 2002-08-15 at 21:17, zpxu wrote:
>
>    Energies (kJ/mol)
>           Morse       G96Angle        LJ (SR)   Coulomb (SR)      Potential
>     3.37389e+02    5.48309e+05    2.54048e+08    0.00000e+00    2.54597e+08
This means: ^^^^^    ^^^^^^^^^^     ^^^^^^^^^^^
       bonds OK      rather high      too high: 

Do you have enough exclusions? set it it to 3

> 
-- 
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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