[gmx-users] Create a elastic network model -attach a spring between to atoms with force constant

Mark Abraham Mark.Abraham at anu.edu.au
Mon Aug 6 09:53:33 CEST 2012

On 6/08/2012 5:24 PM, mohan maruthi sena wrote:
> Hi all,
>               I want to create an elastic network model for a protein,
> in which  i  have selected only c-alpha atoms(removed rest of the
> atoms). To attach a spring  between  alpha atoms with some
> force(spring) constant k , How can i mention this  in topology file ?

In principle, it's not difficult to do this, but you'll need to be well 
acquainted with various parts of chapters 4 and 5 of the manual, 
including the example topology files and table 5.5.


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