|
|||||||||||||||||||||||||||||||||
AMBER Archive (2001)Subject: Problem minimizing on SGI (SHOULD NOT BE HERE).
From: Andrew Hoofnagle (hoofnagl_at_SDSC.EDU)
Greetings-
I am trying to minimize a system with ~35000 atoms on an SGI.
My input file:
Header
timlim = 999999., nmropt = 0,
ntf = 1, ntb = 1,
ipol = 0,
ibelly = 0, ntr = 1,
imin = 1,
temp0 = 0, tempi = 0,
ntp = 0, pres0 = 1.0, comp = 44.6,
ntc = 1, tol = 0.00001,
jfastw = 0,
ivcap = 0, matcap = 0, fcap = 1.5,
&end
I then get the following error message in the output file:
1. RESOURCE USE:
getting box info from bottom of parm
Any ideas what is going on?
Thanks for any help,
Andy Hoofnagle
| |||||||||||||||||||||||||||||||||
|