You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Could you help me with the following error?
I have already installed gromacs2018.8 in my system in the root.
While I installed gmx_MMPBSA in the local path.
I followed your conversation in google group with the following error
INFO ] Cloning gmx_MMPBSA repository...Done.
[INFO ] Example STATE
[INFO ] Protein-Ligand (Single trajectory approximation) RUNNING
[ERROR ] Protein-Ligand (Single trajectory approximation) [ 1/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Protein_ligand/ST/3.log)
[INFO ] Protein-Protein RUNNING
[ERROR ] Protein-Protein [ 2/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Protein_protein/4.log)
[INFO ] Protein-DNA RUNNING
[ERROR ] Protein-DNA [ 3/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Protein_DNA/5.log)
[INFO ] Protein-Glycan RUNNING
[ERROR ] Protein-Glycan [ 4/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Protein_glycan/7.log)
[INFO ] Comp_receptor RUNNING
[INFO ] Comp_receptor [ 5/ 9] DONE
[INFO ] Alanine Scanning RUNNING
[ERROR ] Alanine Scanning [ 6/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Alanine_scanning/12.log)
[INFO ] Stability calculation RUNNING
[ERROR ] Stability calculation [ 7/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Stability/13.log)
[INFO ] Decomposition Analysis RUNNING
[ERROR ] Decomposition Analysis [ 8/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Decomposition_analysis/14.log)
[INFO ] Interaction Entropy approximation RUNNING
[ERROR ] Interaction Entropy approximation [ 9/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Entropy_calculations/Interaction_Entropy/15.log)
I did,
echo $PATH| grep -i gromacs
/usr/local/gromacs (in red)/bin:/home/demo/miniconda3/envs/gmxMMPBSA/bin:/home/demo/miniconda3/condabin:/usr/lib64/qt-3.3/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:/home/demo/.local/bin:/home/demo/bin
Kindly help resolve.
If I redo the installation in root will it help.
reacted with thumbs up emoji reacted with thumbs down emoji reacted with laugh emoji reacted with hooray emoji reacted with confused emoji reacted with heart emoji reacted with rocket emoji reacted with eyes emoji
-
Could you help me with the following error?
I have already installed gromacs2018.8 in my system in the root.
While I installed gmx_MMPBSA in the local path.
I followed your conversation in google group with the following error
INFO ] Cloning gmx_MMPBSA repository...Done.
[INFO ] Example STATE
[INFO ] Protein-Ligand (Single trajectory approximation) RUNNING
[ERROR ] Protein-Ligand (Single trajectory approximation) [ 1/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Protein_ligand/ST/3.log)
[INFO ] Protein-Protein RUNNING
[ERROR ] Protein-Protein [ 2/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Protein_protein/4.log)
[INFO ] Protein-DNA RUNNING
[ERROR ] Protein-DNA [ 3/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Protein_DNA/5.log)
[INFO ] Protein-Glycan RUNNING
[ERROR ] Protein-Glycan [ 4/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Protein_glycan/7.log)
[INFO ] Comp_receptor RUNNING
[INFO ] Comp_receptor [ 5/ 9] DONE
[INFO ] Alanine Scanning RUNNING
[ERROR ] Alanine Scanning [ 6/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Alanine_scanning/12.log)
[INFO ] Stability calculation RUNNING
[ERROR ] Stability calculation [ 7/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Stability/13.log)
[INFO ] Decomposition Analysis RUNNING
[ERROR ] Decomposition Analysis [ 8/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Decomposition_analysis/14.log)
[INFO ] Interaction Entropy approximation RUNNING
[ERROR ] Interaction Entropy approximation [ 9/ 9] ERROR
Please, check the test log
(/home/demo/gmx_MMPBSA_test/examples/Entropy_calculations/Interaction_Entropy/15.log)
I did,
echo $PATH| grep -i gromacs
/usr/local/gromacs (in red)/bin:/home/demo/miniconda3/envs/gmxMMPBSA/bin:/home/demo/miniconda3/condabin:/usr/lib64/qt-3.3/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:/home/demo/.local/bin:/home/demo/bin
Kindly help resolve.
If I redo the installation in root will it help.
Beta Was this translation helpful? Give feedback.
All reactions