[Xplor-nih] NDSMAX (CNST.FCM) exceeded

[Raik Gruenberg]

Hi all,

I am stumbling across the following error with the current xplor version::

  NEXTCD: condition evaluated as true
  CONS>      interaction (segid $segiR_$i ) (segid I%) weights * 1.0 VDW
$enerR_$i ELEC $enerR_$i end
  %CSTRAN-ERR: NDSMAX (CNST.FCM) exceeded --> recompile program
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
  BOMLEV=    0 reached.  Program execution will be terminated.
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
  Subroutine DIE called . Terminating

The same input script has worked before although I haven't touched it in a while
and it may be that I previously always used it with custom-compiled versions of
xplor. So should I ask for the xplor sources or are there already pre-compiled
versions with more relaxed settings?
The two input molecules are not actually very big but the script (by M. Nilges)
simulates several copies of each system in parallel.

Many thanks in advance!
best regards,
Raik