[gmx-users] dihedral restraints

[David van der Spoel]

On Mon, 2004-03-15 at 13:08, Lakshmi Padmavathi wrote:
> Dear gromacs users,
> 
>  
> 
>        Please excuse me for sending the same message again, which has
> been sent already once on 4th of march. But I couldnot get any replay
> from users. Could anybody help me?
> 

I don't know how to do it, but try it this way:
define a dihedral as you would any improper, then after grompp using 
gmxdump -s topol.tpr | less

you check the tpr file to see what is in your topology.

>  
> 
>  
> 
>        I came to know from the list, dihedral restraints are
> imelemented in 3.2 version of the gromacs.(28-01-2004by K.Agarwal in
> gromacs users list). The given options are “dihre= .....”
> 
>  
> 
> But I could not found the detailed information of the dihedral
> restraints in manual of 3.2 version.
> 
>  
> 
> iwill be very thankful for you suggestions.
> 
>  
> 
> Thank you.
> 
>  
> 
> Sincerely,
> 
>  
-- 
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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