Hi,
I am trying to install HADDOCK2.5, but I am encountering an issue where it stalls on “waiting for the psf files…” for a long time.
I am using the same CNS executable that I previously used successfully with HADDOCK2.4, so I know it works. (When running these same files on haddock2.4- this issue doesn’t happen)
Here is my config.local file:
[HADDOCK]
CNS_EXE = /home/qnt/drorimi2/software/cns_solve-1.31-UU-Linux-x86.exe
QUEUE_CMD = /bin/tcsh
NUM_JOBS = 20
[THIRD_PARTY]
NACCESS = auto
PALES = auto
PROFIT = auto
TENSOR2 = auto
The output during the setup process is as follows:
[2025/01/13 17:33:18] Reading configuration file
[2025/01/13 17:33:18] success!
[2025/01/13 17:33:18] Editing run.cns
[2025/01/13 17:33:18] success!
[2025/01/13 17:33:18] Configuring queue submission scripts
[2025/01/13 17:33:18] success!
[2025/01/13 17:33:18] Configuring results processing scripts
[2025/01/13 17:33:18] success!
[2025/01/13 17:33:18] Compiling C/C++ tools
[2025/01/13 17:33:21] success!
[2025/01/13 17:33:21] Writing source files
[2025/01/13 17:33:21] third-party executable not found in PATH: NACCESS
[2025/01/13 17:33:21] third-party executable not found in PATH: PALES
[2025/01/13 17:33:21] third-party executable not found in PATH: TENSOR2
[2025/01/13 17:33:21] success!
I also copied the cns1 file from /home/qnt/drorimi2/software/haddock2.4-2023-01/protocols/cns1
to /home/qnt/drorimi2/software/haddock2.5-2024-12/protocols/
Could you please help identify what might be causing this problem?
Thank you