I am trying to run haddock2.5 locally, I have it installed on a liunuc HPC cluster. I. am trying to run the protein-protein example with E2A and HPR. It seems to create run1/ correctly and when i run haddock2.5 again inside run1/ it begins but stops with “Error in the topology generation: prot_psf_mol2 could not be created”
The begin/ directory has:
begin]$ ls
e2aP_1F3G.psf e2aP_1F3G.psf_1 file_1.list generate_1.out generate_2.out iteration.cns
and the bottom of generate_2.out has:
if ( &convert = true ) then
NEXTCD: condition evaluated as false
COOR> convert=true
COOR> end if
COOR> @@$file
ASSFIL: file hpr_1.pdb opened.
%COOR-ERR: unrecognized command:
show
^^^^
which propogates many times and results in:
NEXTCD: condition evaluated as true
%COOR-ERR: unrecognized command:
identity
^^^^^^^^
%PARSER error encountered: Encountered too many parsing errors.
(CNS is in mode: SET ABORT=NORMal END)
ABORT mode will terminate program execution.
Program will stop immediately.
============================================================
Maximum dynamic memory allocation: 9857944 bytes
Maximum dynamic memory overhead: 1040 bytes
Program started at: 11:47:11 on 22-Nov-2024
Program stopped at: 11:47:11 on 22-Nov-2024
CPU time used: 0.1352 seconds
============================================================
at the bottom. generate_1.out seems to be fine.