sander input for a newbie

From: Randy M. Wadkins <>
Date: Tue 11 Jun 2002 19:21:22 -0400

Hi All:

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

   imin=1, maxcyc=5,

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?

Received on Tue Jun 11 2002 - 16:21:22 PDT
Custom Search