Thanks Charles, Indeed, I never made the switch from the old Xplor-NIH interface to the python interface. I’ll follow your advice and see how I get on!
Best wishes, Andrew — Andrew Atkinson, DPhil (Oxon.) Integrative Biological NMR Group, IPBS, Toulouse https://orcid.org/0000-0002-3645-9492 ResearcherID: ABE-8068-2020 [this email may reach you when you are not working - feel free to read, act on or respond at a time that suits you] > On 27 Nov 2024, at 21:35, Charles Schwieters <[email protected]> wrote: > > Hello Andrew-- > >> I'm trying to run a simulated annealing protocol using a VERY large >> number of NOE (and non-NOE) restraints on my MacBook Pro. While >> reading the restraints, I get an error message: >> >> %ALLHP-err: too much memory requested. >> Subroutine DIE called . Terminating >> >> (which I've only found once in the archives of this list). >> >> Is this likely to be machine dependent (RAM?) or am I reaching a >> xplor-nih-dependent limit? Advice welcome. > > You do not report which version of Xplor-NIH you are running. The > error message implies that you are running a script in the old XPLOR > interface, which may well have some fixed size limitations. I suggest > that you instead use the Python interface which has no such > limitations. A good starting script might be > gb1_simple/refine_nordc.py in the hands-on tutorial: > > https://bit.niddk.nih.gov/xplor-nih/xplor-nih-tutorial.tar.gz > > Please let me know if you continue to have problems. > > best regards-- > Charles > > ######################################################################## > > To unsubscribe from the XPLOR-NIH list, click the following link: > Bad URL Removed - see why - > https://ees.sps.nih.gov/services/Pages/Anti-Virus.aspx?SUBED1=XPLOR-NIH&A=1 ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
