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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Received on Wed Nov 28 2007 - 06:07:18 PST
