[gmx-users] G96Angle contribution

David spoel at xray.bmc.uu.se
Mon Jan 5 09:23:01 CET 2004


On Mon, 2004-01-05 at 18:18, Sunita Patel wrote:
> Dear gmx_users,
> 
> Can anyone tell me G96Angle in g_energy calculation include
> which angles contribution.
> 

those listed in your topology under
[ angles ]
with type 2

see also manual chap 4


> Thanks in advance.
> 
> Regards,
> Sunita Patel
> 
> 
> -------------------------------------------------------------------------------
> Sunita Patel
> Biophysical Lab.,
> Dept. of Chemistry,
> Indian Institute of Technology(IIT) Bombay,
> Powai, Mumbai, Maharashtra,
> INDIA-400076.
> 
> Tel: (91)-22-25764176.
> Email:sunita at chem.iitb.ac.in
> -------------------------------------------------------------------------------
> 
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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