Hello,
I just change the distance values to NOE intensity of
7-column files from
http://amber.scripps.edu/tutorials/advanced/tutorial4/index.htm.
Then type: “makeDIST_RST -vol 7col.dist -pdb
gcg_b.amb.pdb -svf NOE
I got the restrain file as follows
“&noeexp
ihp(1,1) = 10, jhp(1,1) = 27, aexp(1,1) =
500000.00000,
…….
npeak(1) = 31, -1
&end
entire molecule is sub-molecule
RES 1 0
END
END
&noeexp npeak=-1, &end”
but there are no “ id20, oscale, taumet , taurot and
emix “ at the top of the file as sample provide in the
Amber manual.
If I give the imix=0.2 (mixing time is 200ms)
makeDIST_RST -imix 0.2 -vol 7col.dist -pdb
gcg_b.amb.pdb -svf NOE
I got the message “ Bus error”.
Could anyone please give me some suggestions ?
Thanks in advance
Wenyong
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Received on Sun Sep 16 2007 - 06:07:13 PDT
