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

[mohan maruthi sena]

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 ?


Thanks,
 Mohan
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Re: [gmx-users] Create a elastic network model -attach a spring between to atoms with force constant

[Mark Abraham]

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.


Mark
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