[gmx-users] position restraints

[abdullah ahmed]

Hello, 

I would like to restrain my molecule to a specific position in space. I would like for certain atoms to lie on the y-axis. To do this I used  the following code/lines in my .top file: 

[ position restraints ]
2 1 1000 0 1000 ; 
3 1 1000 0 1000 ;
4 1 1000 0 1000 ;
5 1 1000 0 1000 ;
6 1 1000 0 1000 ;
7 1 1000 0 1000 ;
8 1 1000 0 1000 ;
9 1 1000 0 1000 ;

Unfortunately, after minimization my file contained the molecule in the same position as when the restraints were not applied. 

Does anyone know what I am doing wrong? 

Thanks in advance,
Abdullah
 		 	   		  
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