[gmx-users] Martini force field: elastic network

Li, Hualin Hualin.Li at uth.tmc.edu
Fri Oct 14 17:58:48 CEST 2011

Dear all,

          I am using martini force field to generate elastic network for my protein. I generate a list of distance between all beads within a certain distance by:

     genrestr -f  ***.gro -n index.ndx -constr -o constraints

        getting the constraints.itp file and will continue with the 2nd step by using a script:

    ./select_restr.pl constraints.itp 0.5 0.9 500

       However, the martini forcefield developer seems to update their website yesterday and I can't find the select_restr.pl any more and in the new script they provide ( martinize.py),  -elastic   to write elastic bonds is not working yet.  Could some one provide me the old script   "select_restr.pl" please?
      Many thanks.


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