[gmx-users] some problems by freshman

[David]

On Thu, 2002-08-15 at 22:04, zpxu wrote:
>rgies (kJ/mol)
>           Morse       G96Angle        LJ (SR)   Coulomb (SR)      Potential
>     3.69421e+01    5.48292e+05   -3.97362e+03    0.00000e+00    5.44355e+05
>     Kinetic En.   Total Energy    Temperature Pressure (bar)
>     0.00000e+00    0.00000e+00    0.00000e+00    0.00000e+00
>
Check your angle definitions. Measure the angles in your starting
structure (e.g. with rasmol)
 
>
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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