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[modeller_usage] modelling problem



hello everyone,

I want to model a big protein (a trimer of about 840 aa)
using three template structures. When I try to model with
only one template there is no problem, when I add the
second template structure the program bombs in the way I
report below,

can someone help me, please?

Francesco

P.S. I'm running Modeller 6v2 on a RehHat 7.2 linux workstation

-------------------

TOP_________>   162  131 PICK_ATOMS PICK_ATOMS_SET = 3, ATOM_TYPES = 'CA'


Number of atoms to choose from, total          :  19104 19104
Atom types to be searched for (ATOM_TYPES)     : CA
Residue types to be searched for (RES_TYPES)   : STD
Selection mode (SELECTION_MODE)                : ATOM
What to do with atoms & sets (SELECTION_STATUS): INITIALIZE
SEGMENT search; residue range (2i5,2a5)        :      1  2520     1:   2520:
selatm__462_> Number of selected atoms            :     2520


List of segments of contiguous residues with at least one selected atom:

SEGMENT  RESNUM   AA ---  RESNUM   AA    LEN
      1    1 :  MET  --- 2520 :  PHE    2520


TOP_________> 163 132 MAKE_RESTRAINTS RESTRAINT_TYPE = 'distance', ADD_RESTRAIN;
                      TS = 'ON'


Dynamically allocated memory at amprmcns [B,kB,MB]: 121143079 118303.800 115.531
make_re_417_> Restraint type to be calculated:  distance
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2 NEW_SD1 NEW_SD2
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2 NEW_SD1 NEW_SD2
r_dista_644W> Two basis restraints have means too far apart:

---------
a lot of these lines
---------

r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2 NEW_SD1 NEW_SD2
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2 NEW_SD1 NEW_SD2
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2 NEW_SD1 NEW_SD2
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2 NEW_SD1 NEW_SD2
stdevs__397E> STDEV < 0:       -0.0995
              Set to 1E-5.
recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1

Dynamically allocated memory at finish [B,kB,MB]: 121143079 118303.800 115.531 Starting time : 2003/11/04 15:14:45.269 Closing time : 2003/11/04 15:16:33.274
Total CPU time [seconds]                                 :      91.05


--
-------------------------------------------------------
Francesco Musiani
Department of Agro-Environmental Science and Technology
University of Bologna
Phone: 051-2096233 - 051-2096236 --- Fax. 051-2096203
mail: 
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