Some question about Constraint~

From: κ (weikai_at_ustc.edu)
Date: Sun Nov 14 2004 - 21:02:34 CST

Dear,everyone:
  I have some question about the constrains below:
1.how to add Constraint Energy such as 1000kcal/mol to the molecule in the minimize procedure.
2.How to let constraint in MD simulation gradually decrease(such as decrease per 10fs) to zero
3.How to increase Temperature to a target value(such as 300K)after the constraint decreases to zero and how to do free MD?
Thank you very much~
 
                                                  respectfully,Kai

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