Ca-parameters



Dear Ccl'ers,
 I am new to the field of molecular dynamics. I was wondering whether
 anyone can help me regarding the calcium parameters. I wanted to know
 whether the ca-parameters(Roux et at) that are used by CHARMM, are
 dependent on the coordination number of the calcium in the enzyme, ie.
 whther the same parameters can be used for 6 or 7 or 8 coordination of
 Calcium or it has to be changed with the coordination number of Ca and
 how?
 Thanks,
 Devleena