AMBER Archive (2002)

Subject: sander input for a newbie

From: Randy M. Wadkins (rwadkins_at_flash.net)
Date: Tue Jun 11 2002 - 18:21:22 CDT

Hi All:

I'm trying to learn amber7 and am puzzled why the following sander
input file causes a hangup?

Minimize
  &cntrl
   imin=1, maxcyc=5,
  &end

directing the output to stdout, sander hangs at

  getting new box info from bottom of inpcrd
| peek_ewald_inpcrd: Box info not found in inpcrd

the program just hangs here 'til a ctrl-C.

What am I doing wrong?

Thanks,
--Randy