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
