AMBER Archive (2007)

Subject: AMBER: Weird restart file with ioutfm=0, iwrap=1 and ntwprt >0

From: Hai Long (spaceshiptoo_at_gmail.com)
Date: Mon Nov 26 2007 - 11:41:18 CST

Hi:

I have a problem with sander of Amber 9.0. When I set ntwprt > 0, for
example, ntwprt=5000, and iwrap = 1 at the same time, it generates a
weird restart file: from atom # 1 to 5001 coordinates are ok but the
coordinates for atom # after 5001 is either 0, 0, 0 or equal to the
ones of atom # 5001. This only happens in sander and pmemd does not
have this problem. I think I have applied the bug fix patch to my copy
of Amber. Is it an unfound bug or something?

Hai
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