bzip2: Can't open input file rep*.tra: No such file or directory.

[Ffakher]

$ sudo perl /mnt/c/I-TASSER5.1/I-TASSERmod/runI-TASSER.pl -libdir /home/user/ITLIB -seqname seq -datadir /mnt/c/I-TASSER5.1/example -datadir /mnt/c/I-TASSER5.1/example

Your setting for running I-TASSER is:
-pkgdir = /mnt/c/I-TASSER5.1
-libdir = /home/user/ITLIB
-java_home = /usr
-seqname = seq
-datadir = /mnt/c/I-TASSER5.1/example
-outdir = /mnt/c/I-TASSER5.1/example
-runstyle = serial
-homoflag = real
-idcut = 1
-ntemp = 20
-nmodel = 5
-light = false
-hours = 50
-LBS = false
-EC = false
-GO = false

1. make seq.txt and rmsinp
Your protein contains 143 residues:
> seq
MYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLA
LQDSGLEVNIVTDSQYALGIITQWIHNWKKRGWPVKNVDLVNQIIEQLIKKEKVYLAWVP
AHKGIGGNEQVDKLVSAGIRKVL
2.1 run Psi-blast
2.2 Secondary structure prediction was done before.
2.3 Predict solvent accessibility...
2.4 run pairmod
pair exist
3.1 do threading
/mnt/c/I-TASSER5.1/example/init.PPAS exists
/mnt/c/I-TASSER5.1/example/init.dPPAS exists
/mnt/c/I-TASSER5.1/example/init.dPPAS2 exists
/mnt/c/I-TASSER5.1/example/init.Env-PPAS exists
start serial threading MUSTER
/tmp/root/ITseq
/mnt/c/I-TASSER5.1/example/MUSTER_seq
Illegal division by zero at /mnt/c/I-TASSER5.1/example/MUSTER_seq line 599.
hostname: STATION-PCMC
starting time: Sat May 20 09:34:01 CEST 2023
pwd: /tmp/root/ITseq
running Psi-blast .....
running zalign .....


/mnt/c/I-TASSER5.1/example/init.wPPAS exists
/mnt/c/I-TASSER5.1/example/init.wdPPAS exists
/mnt/c/I-TASSER5.1/example/init.wMUSTER exists
3.2 make restraints
4.1 run simulation
run 14 serial simulations
run simulation job 1 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 2 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 3 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 4 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 5 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 6 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 7 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 8 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 9 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 10 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 11 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 12 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 13 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 14 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
5.1 do clustering
No. of trajectory files: 0

[jlspzw]

Dear user,

Can you check if init.dat file exists in /mnt/c/I-TASSER5.1/example folder?

Best
IT Team

[Ffakher]

Hi
Thank you for your responce

Yes i have inti.dat in the folder /I-TASSER5.1/example

[jlspzw]

Dear user,

It seems the template file is correctly generated. Could you 'ls' your example folder, or zip the example folder and attach in the response

Best
IT Team

[Ffakher]

Hello

Yes I can

I have try to do with 2 different computer and with version 5.1 and 5.2 always the same problem

[Ffakher]

Can you please help me according to attached file

[jlspzw]

Dear user,

Thank you for your files, we are working on debugging the program and will let you know the issue ASAP.

Best
IT Team

[jlspzw]

Dear user,

Can you change your parameters "-seqname seq " to "-seqname example " if your folder name is "example", and see if you can go though?

Best
IT Team

[Ffakher]

hello
I have try this
sudo perl /mnt/c/I-TASSER5.1/I-TASSERmod/runI-TASSER.pl -libdir /home/user/ITLIB -seqname example -datadir /mnt/c/I-TASSER5.1/example -datadir /mnt/c/I-TASSER5.1/example

the result is :

(base) user@STATION-PCMC:/mnt/c/I-TASSER5.1$ sudo perl /mnt/c/I-TASSER5.1/I-TASSERmod/runI-TASSER.pl -libdir /home/user/ITLIB -seqname example -datadir /mnt/c/I-TASSER5.1/example -datadir /mnt/c/I-TASSER5.1/example

Your setting for running I-TASSER is:
-pkgdir = /mnt/c/I-TASSER5.1
-libdir = /home/user/ITLIB
-java_home = /usr
-seqname = example
-datadir = /mnt/c/I-TASSER5.1/example
-outdir = /mnt/c/I-TASSER5.1/example
-runstyle = serial
-homoflag = real
-idcut = 1
-ntemp = 20
-nmodel = 5
-light = false
-hours = 50
-LBS = false
-EC = false
-GO = false

1. make seq.txt and rmsinp
Your protein contains 143 residues:
> example
MYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLA
LQDSGLEVNIVTDSQYALGIITQWIHNWKKRGWPVKNVDLVNQIIEQLIKKEKVYLAWVP
AHKGIGGNEQVDKLVSAGIRKVL
2.1 run Psi-blast
2.2 Secondary structure prediction was done before.
2.3 Predict solvent accessibility...
2.4 run pairmod
pair exist
3.1 do threading
/mnt/c/I-TASSER5.1/example/init.PPAS exists
/mnt/c/I-TASSER5.1/example/init.dPPAS exists
/mnt/c/I-TASSER5.1/example/init.dPPAS2 exists
/mnt/c/I-TASSER5.1/example/init.Env-PPAS exists
start serial threading MUSTER
/tmp/root/ITexample
/mnt/c/I-TASSER5.1/example/MUSTER_example
Illegal division by zero at /mnt/c/I-TASSER5.1/example/MUSTER_example line 599.
hostname: STATION-PCMC
starting time: Tue Jun 6 02:06:26 CEST 2023
pwd: /tmp/root/ITexample
running Psi-blast .....
running zalign .....


/mnt/c/I-TASSER5.1/example/init.wPPAS exists
/mnt/c/I-TASSER5.1/example/init.wdPPAS exists
/mnt/c/I-TASSER5.1/example/init.wMUSTER exists
3.2 make restraints
4.1 run simulation
run 14 serial simulations
run simulation job 1 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 2 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 3 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 4 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 5 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 6 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 7 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 8 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 9 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 10 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 11 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 12 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 13 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 14 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
5.1 do clustering
No. of trajectory files: 0

[jlspzw]

Dear user,

We tested your example files and ran with your files as the start point and got the correct results. So the input files of this case for the I-TASSER simulation should be ready. We think you should have some issues with the simulation itself.

I may want to check the following setting is correct on your system,

1. do you have gfortran installed on your system?
2. please go to /mnt/c/I-TASSER5.1/example folder. There should be a script named 'examplesim_1A'. Please directly run this script to see what the output message is.

Best
IT Team