/home/rpdock/web/media/jobs/ade8f6f8-6d12-4652-ab2b-b32502c45b4e
/home/rpdock/web/media/jobs/ade8f6f8-6d12-4652-ab2b-b32502c45b4e
/home/rpdock/web/media/jobs/ade8f6f8-6d12-4652-ab2b-b32502c45b4e
/home/rpdock/web/media/jobs/ade8f6f8-6d12-4652-ab2b-b32502c45b4e
/home/rpdock/web/media/jobs/ade8f6f8-6d12-4652-ab2b-b32502c45b4e
/home/rpdock/web/media/jobs/ade8f6f8-6d12-4652-ab2b-b32502c45b4e
n_dec 21
Mon May 18 20:36:03 2026
Checking of the smallest grid_step
Log: ['\n', '*** ERROR: for prot and na molecules the  0.5 step is too small for the max.(64x64x64) grid\n', '\n']
ERR ['\n', '*** ERROR: for prot and na molecules the  0.5 step is too small for the max.(64x64x64) grid\n', '\n'] prot.pdb
Log: ['\n', '*** ERROR: for prot and na molecules the  0.6 step is too small for the max.(64x64x64) grid\n', '\n']
ERR ['\n', '*** ERROR: for prot and na molecules the  0.6 step is too small for the max.(64x64x64) grid\n', '\n'] prot.pdb
Log: ['\n', '*** ERROR: for prot and na molecules the  0.7 step is too small for the max.(64x64x64) grid\n', '\n']
ERR ['\n', '*** ERROR: for prot and na molecules the  0.7 step is too small for the max.(64x64x64) grid\n', '\n'] prot.pdb
Log: ['\n', '*** ERROR: for prot and na molecules the  0.8 step is too small for the max.(64x64x64) grid\n', '\n']
ERR ['\n', '*** ERROR: for prot and na molecules the  0.8 step is too small for the max.(64x64x64) grid\n', '\n'] prot.pdb
Log: ['\n', '*** ERROR: for prot and na molecules the  0.9 step is too small for the max.(64x64x64) grid\n', '\n']
ERR ['\n', '*** ERROR: for prot and na molecules the  0.9 step is too small for the max.(64x64x64) grid\n', '\n'] prot.pdb
Log: ['\n', '*** ERROR: for prot and na molecules the  1.0 step is too small for the max.(64x64x64) grid\n', '\n']
ERR ['\n', '*** ERROR: for prot and na molecules the  1.0 step is too small for the max.(64x64x64) grid\n', '\n'] prot.pdb
prepare dir: prot-na_10
0 katalog
cp prot-na_5/* prot-na_10
cp from 5
Make rpar...
close rpar
prepare dir: prot-na_15
0 katalog
cp prot-na_5/* prot-na_15
cp from 5
Make rpar...
close rpar
prepare dir: prot-na_20
0 katalog
cp prot-na_5/* prot-na_20
cp from 5
Make rpar...
close rpar
prepare dir: prot-na_25
0 katalog
cp prot-na_5/* prot-na_25
cp from 5
Make rpar...
close rpar
prepare dir: prot-na_30
0 katalog
cp prot-na_5/* prot-na_30
cp from 5
Make rpar...
close rpar
gramm is running, wait...
['prot-na_1000.pdb', 'prot-na_1001.pdb', 'prot-na_1002.pdb', 'prot-na_1003.pdb', 'prot-na_1004.pdb', 'prot-na_1005.pdb']
ZeroDivison -- skip: 0 0 0 prot-na_1000.pdb
ZeroDivison -- skip: 1 0 0 prot-na_1001.pdb
ZeroDivison -- skip: 2 0 0 prot-na_1002.pdb
ZeroDivison -- skip: 3 0 0 prot-na_1003.pdb
ZeroDivison -- skip: 4 0 0 prot-na_1004.pdb
ZeroDivison -- skip: 5 0 0 prot-na_1005.pdb
Working directory is  prot-na_5
Generating 10000 decoys
first: 1
first: 1001
first: 2001
first: 3001
first: 4001
first: 5001
first: 6001
first: 7001
first: 8001
first: 9001
first: 10001
first: 11001
first: 12001
first: 13001
first: 14001
first: 15001
first: 16001
first: 17001
first: 18001
first: 19001
big_first_l, small_first_l ['ATOM 1    1 N     ME  A 1 1  '] ["ATOM      1  O5'   G A   1   "]
Mon May 18 21:10:15 2026
/home/rpdock/web/media/jobs/ade8f6f8-6d12-4652-ab2b-b32502c45b4e/prot-na_5/*-*_*.pdb
file_pdb prot-na
cmd: find /home/rpdock/web/media/jobs/ade8f6f8-6d12-4652-ab2b-b32502c45b4e/prot-na_5 -name prot-na_*.pdb > list1.txt
{' ': []} {'A': []}
run_gramm1::no filtering, list1.txt -> list.txt