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Hello, I'm Matthias!
I have more then one question, so far:
- How do I use the "user_after_singel_model" subroutine, for ex. to
compare the model with an X-ray
structure? Can you send me a sort of top.script, or at least, can
you someone give me a hint?
- Further, can you please check my top.script , please? I can't
undestand why it sometimes doesn't work (.. it clashed more than
once... and it appeared the message:
FORTRAN runtime error:
INQUIRE(UNIT=/usr/bin/mod6v2: line 38: 25355 segmentation fault
(core dumped) $nice ${executable} $STEERF >$LOGF
Can you explain me, what this mean?
- I have some problems, in loop modelling, regard DEFINE_SYMMETRY.. my
loops almost often aren't symmetric.. how can i solve it ..
is it enough to call the 'def_sym' routine and fix SEG1
& SEG2?
- At last but not least, how can i eliminate the error: "Array too
small. Increase MPAIRS"
or "Array too small. Increase MAXATM",
and what's the reason for it?
I know i'm askingyou a lot, but i hope someone can help me.....
faithsfully
Matthias Negri
Diploma Student in Medicinal Chemistry
at University of Bologna
P.S. i send you my tops: job.top --> JOB_28_125.pir, prova2.top,
try.top --> Thias1.pir,
Attachment:
Job.top
Description: Binary data
Attachment:
Job1.pir
Description: Binary data
Attachment:
prova2.top
Description: Binary data
Attachment:
try.top
Description: Binary data
Attachment:
Thias1.pir
Description: Binary data