Hi,
We just noticed that the separate solute-solvent temperature
scaling is not available for SANDER in Amber 7. We would like to inquire
what is the reason of this, whether you have experience that ntt=1 is good
enough, or if there is any way to use ntt=5 in sander. (in Gibbs it is
still available). Thanks for your answer.
Yours sincerely
Monika Fuxreiter
Institute of Enzymology
Budapest, Hungary
Received on Fri Jul 04 2003 - 12:53:01 PDT