AMBER Archive (2003)

Subject: sander,ntt=5

From: Monika Fuxreiter (monika_at_enzim.hu)
Date: Fri Jul 04 2003 - 06:17:33 CDT

 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