AMBER: ibelly in AMBER 6

From: Qing Zhang <qingzhang_nyu.yahoo.com>
Date: Fri, 17 Oct 2003 15:32:21 -0700 (PDT)

Dear Amber users:

I want to use ibelly to only allow parts of a molecule
to move (ibelly=1), and also use distance-dependent
dielectric constant (igb=3). However, minimization
does not work and shows an error message:

"When igb>0, the moving part must be at the start of
the molecule."

Should the moving part be ONLY at the start of the
molecule?

Thanks,

Qing Zhang
P.S. a piece of output:
===============================================
    LOADING THE BELLY ATOMS AS GROUPS

    ----- READING GROUP 1; TITLE:
 C:1-5 only allow added tails to move
                        
 GRP 1 RES 238 TO 242
      Number of atoms in this group = 58
    ----- READING GROUP 2; TITLE:
 D:1-4
                              
 GRP 2 RES 365 TO 368
      Number of atoms in this group = 55
    ----- READING GROUP 3; TITLE:
 G:1-5
                              
 GRP 3 RES 727 TO 731
      Number of atoms in this group = 58
    ----- READING GROUP 4; TITLE:
 H:1-4
                      
 GRP 4 RES 854 TO 857
      Number of atoms in this group = 55
    ----- END OF GROUP READ -----
 When igb>0, the moving part must be at the
    start of the molecule. This does not seem
    to be the case here.
 natbel,i,igroup(i) = 226 3881
  1
===================================================

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Received on Fri Oct 17 2003 - 23:53:00 PDT
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