Hello, David
Thanks, I see and will try it. I have another
question.
Part of my 7-col file is as follows: UNK is a
modified residue.
7 UNK 1H1 7 UNK H10 2.1
7 UNK 1H1 7 UNK H7 2.5
7 UNK 1H1 7 UNK H8 2.7
7 UNK 1H1 7 UNK H9 2.1
7 UNK H 7 UNK H10 2.7
7 UNK H 7 UNK H7 2.5
7 UNK H 7 UNK H9 3.2
However, when I use “ makeDIST_RST “ with my modified
MAP files to get RST files, I only got one “&rst” at
the end of the file. The result is as follows:
#
# 7 UNK 1H1 7 UNK H10 2.1
7 UNK 1H1 7 UNK H7 2.5
7 UNK 1H1 7 UNK H8 2.7
7 UNK 1H1 7 UNK H9 2.1
7 UNK H 7 UNK H10 2.7
7 UNK H 7 UNK H7 2.5
7 UNK H 7 UNK H9 3.2
&rst
ixpk= 0, nxpk= 0, iat= 149, 152, r1= 1.30, r2= 1.80,
r3= 2.10, r4= 2.60,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
What are the problems here? Although I have 89
distance restrains, it seems that I have to split it
into two 7-col files for RST files......
Thanks in advance
Wenyong
--- "David A. Case" <case.scripps.edu> wrote:
> On Wed, Sep 12, 2007, Wenyong Tong wrote:
> >
> > Then type: makeDIST_RST -vol 7col.dist -pdb
> >
> > but there are no id20, oscale, taumet , taurot and
> > emix at the top of the file as sample provide in
> the
> > Amber manual.
>
> You have to manually edit the output from
> makeDIST_RST to add these values.
>
> >
> > 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
>
> The "imix" command-line variable is an integer
> (stating which mixing time is
> used, not its value.)
>
> ...good luck...dac
>
>
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Received on Sun Sep 16 2007 - 06:07:41 PDT
