ERROR- conda activate gmxMMPBSA

[Nandha Kumar]

During the activation of gmxMMPBSA, I'm getting a warning  on 

WARNING: No ICDs were found. Either,
- Install a conda package providing a OpenCL implementation (pocl, oclgrind, intel-compute-runtime, beignet) or
- Make your system-wide implementation visible by installing ocl-icd-system conda package.

[marioe911116]

it should run smoothly, even when showing that warning... have you tried it?

[Nandha Kumar]

Yes, I attempted to run gmxMMPBSA, but it reported a bus error (core dumped).

[Nandha Kumar]

After activating gmxMMPBSA, I tried to run the mmpbsa analysis to use this (gmx_MMPBSA -O -i mmpbsa.in -cs md_100.tpr -ci index.ndx -cg 1 13 -ct md_100.xtc -cp topol.top) command line. After hit enter its coming error on GromacsError: Structure contains LIG molecules, but no template defined

i don't know how to resolve the error, can you please help me rectify the error?

[marioe911116]

[Duplicated] make sure the name of the ligand is the same across all the files

https://groups.google.com/g/gmx_mmpbsa/c/Z0bPSfHiowg/m/8n28YLykAwAJ

[Nandha Kumar]

Yes, I now realize that changing my name will make everything work more easily. The terminal displays an error such as "libGL error."

libGL error: MESA-LOADER: failed to open radeonsi: /usr/lib/dri/radeonsi_dri.so: cannot open shared object file: No such file or directory (search paths /usr/lib/x86_64-linux-gnu/dri:\$${ORIGIN}/dri:/usr/lib/dri, suffix _dri)
libGL error: failed to load driver: radeonsi
libGL error: MESA-LOADER: failed to open radeonsi: /usr/lib/dri/radeonsi_dri.so: cannot open shared object file: No such file or directory (search paths /usr/lib/x86_64-linux-gnu/dri:\$${ORIGIN}/dri:/usr/lib/dri, suffix _dri)
libGL error: failed to load driver: radeonsi
libGL error: MESA-LOADER: failed to open swrast: /usr/lib/dri/swrast_dri.so: cannot open shared object file: No such file or directory (search paths /usr/lib/x86_64-linux-gnu/dri:\$${ORIGIN}/dri:/usr/lib/dri, suffix _dri)

libGL error: failed to load driver: swrast 

[Mario Sergio Valdes]

There are several discussions and solutions for this problem in the group and in others. You can easily search for this error and try any solution that matches your system specifications. 

Let me know any problem you have

Mario S.