[gmx-users] protein unfolding

Xavier Periole x.periole at rug.nl
Mon Mar 14 10:47:28 CET 2005

Aina Quintilla wrote:

>i am looking at the behaviour of a protein 1l2y.
>during the run the protein is unfolding.. at every temperature, from 200 K ...
>i am using the gromos96 43a1 force field
>could anyone give me a hint about what is happening? is gromacs force field 
>not adequate to work with it?
>i attach the input file (.pdb) of the run
You might want to give some information about the way you simulate the 
What protocol did you follow ?


   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at rug.nl
   web-page: http://md.chem.rug.nl/~periole

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