Previously, I used fixed atoms in NAMD. But I cannot make the simulation run. Errors!!!
I found that constraining atoms could solve the problem. You may find information how to constrain atoms. But I am confused about how to set constrain force. And I found solution at http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2009-2010/0751.html.
if you wanted to set the force constant to 3 kcal/mol/A^2
Why people don’t explain the detail in the manual?