AMBER Archive (2001)

Subject: Minimization inputs in AMBER6!!

From: A.Madhumalar (malar_at_mbu.iisc.ernet.in)
Date: Thu May 10 2001 - 12:09:27 CDT

Dear amber users,
       I am a new user using sander in amber6 for minimization.I found
that in input namelist some of them were missing for ex
dele,idel compared to amber5. when i did minimization, it is just going on
till the maxcycle gets over. There is no check point like drms or dele
so that minmization will stop,when the particular cutoff reaches.what is
the main CONTROL input for minimization?
  Is it possible to do minimization with distant dependent dielectric
constant in amber6?if so what is the corresponding input for that? Thanks
in advance for any comments on this.

regards,
madhu