AMBER Archive (2007)

Subject: AMBER: for makeDIST_RST

From: Wenyong Tong (wenyong_tong_at_yahoo.com)
Date: Wed Sep 12 2007 - 16:30:29 CDT

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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