Dear all,
I want to add a restraint to my MD simulation like this: at the beginning, a reatrsint, 5.0kcal/mol\AA^2 for example, will be put on the protein,
then the constraint will be slowly switched off during the first 1ns of MD.
I don't know how to do this. Can someone give a hand to help me out of trouble?
Maybe options in Tutorial A4:NMR refinement could help, but I have no experience for doing this.
Thanks in advance.
Jianing
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 19 2010 - 02:30:05 PDT
