I might be wrong but it seems Garib has implemented some sort of line
minimization for the tls part which causes the observed behavior. Garib?
Roberto
On 21 May 2009, at 00:39, Dima Klenchin <klenc...@facstaff.wisc.edu>
wrote:
The issue is:
While running tls and restrained refinement, the program doesn't
perform
the given no. of tls refinements. For e.g., if you ask it to
perform 10
TLS and 5 restrained refinement rounds, it'll run may be 2 or 3
rounds of
TLS and then jump to restrained refinement rounds and finish the
job. It
is, however, finishing the given no. of restrained refinements
every-time. There is no error message or any indication of abrupt
ending
to tls refinements in the log file either.
FWIIW, I am getting the same thing. Sometimes no TLS refinement is
done at
all, sometimes the program does 2-3 cycles and sometimes the requested
number of cycles. Seems to be PDB input-dependent but I could never
find
what causes the behavior.
Dima
