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• [votca] Version of VOTCA compatible with GROMACS 2021.2 Sanjeet Singh
  • Re: [votca] Version of VOTCA compatible with GROMACS 2021.2 Christoph Junghans
  • Re: [votca] Version of VOTCA compatible with GROMACS 2021.2 Sanjeet Singh
• [votca] Segmentation fault during Force-Matching Satyen Dhamankar
  • Re: [votca] Segmentation fault during Force-Matching Christoph Junghans
• [votca] How is convergence checked in VOTCA and how to parallelize simulations? Satyen Dhamankar
  • Re: [votca] How is convergence checked in VOTCA and how to parallelize simulations? Christoph Junghans
• [votca] csg_stat error LeMEI
• [votca] csg_stat problem 梅乐
• [votca] csg_stat command 梅乐
  • Re: [votca] csg_stat command Christoph Junghans
• [votca] Is VOTCA only available on INTERACTIVE SHELL? Kim
  • Re: [votca] Is VOTCA only available on INTERACTIVE SHELL? Christoph Junghans
• [votca] could not access file state.hdf5 with permission to read Kim
  • [votca] Re: could not access file state.hdf5 with permission to read Kim
• [votca] xtp_map can not read .tpr file Kim
• [votca] Problem with xtp tutorials. Debapriya Chaudhuri
  • [votca] Re: Problem with xtp tutorials. Jens Wehner
  • [votca] Re: Problem with xtp tutorials. Debapriya Chaudhuri
  • [votca] Re: Problem with xtp tutorials. Jens Wehner
• [votca] Using LAMMPS with VOTCA Satyen Dhamankar
  • Re: [votca] Using LAMMPS with VOTCA Christoph Junghans
  • Re: [votca] Using LAMMPS with VOTCA Satyen Dhamankar
  • Re: [votca] Using LAMMPS with VOTCA Christoph Junghans
  • Re: [votca] Using LAMMPS with VOTCA 'JIANXIN HE' via votca
  • Re: [votca] Using LAMMPS with VOTCA Christoph Junghans
  • Re: [votca] Using LAMMPS with VOTCA jianxin he
• [votca] How to run VOTCA after installing via Spack Satyen Dhamankar
  • Re: [votca] How to run VOTCA after installing via Spack Christoph Junghans
  • Re: [votca] How to run VOTCA after installing via Spack Satyen Dhamankar
  • Re: [votca] How to run VOTCA after installing via Spack Christoph Junghans
  • Re: [votca] How to run VOTCA after installing via Spack Satyen Dhamankar
  • Re: [votca] How to run VOTCA after installing via Spack Christoph Junghans
• [votca] Segmentation fault while using csg_map Missi dhillon
  • Re: [votca] Segmentation fault while using csg_map Christoph Junghans
  • Re: [votca] Segmentation fault while using csg_map Missi dhillon
  • Re: [votca] Segmentation fault while using csg_map Christoph Junghans
• [votca] missing: Libxc_INCLUDE_DIR Libxc_LIBRARY [email protected]
  • Re: [votca] missing: Libxc_INCLUDE_DIR Libxc_LIBRARY Christoph Junghans
  • Re: [votca] missing: Libxc_INCLUDE_DIR Libxc_LIBRARY [email protected]
  • Re: [votca] missing: Libxc_INCLUDE_DIR Libxc_LIBRARY Marvin Bernhardt
• [votca] Votca 2022 released Christoph Junghans
• [votca] How to check extent of convergence, and how to use developed potentials in a new run? Satyen Dhamankar
  • Re: [votca] How to check extent of convergence, and how to use developed potentials in a new run? Christoph Junghans
  • Re: [votca] How to check extent of convergence, and how to use developed potentials in a new run? Satyen Dhamankar
  • Re: [votca] How to check extent of convergence, and how to use developed potentials in a new run? Christoph Junghans
• [votca] Votca 2021.2 released Christoph Junghans
• [votca] potential_shift.pl error in VOTCA for bonded potentials Satyen Dhamankar
  • [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Satyen Dhamankar
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Christoph Junghans
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Satyen Dhamankar
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Christoph Junghans
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Christoph Junghans
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Satyen Dhamankar
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Christoph Junghans
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Satyen Dhamankar
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Christoph Junghans
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Satyen Dhamankar
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Christoph Junghans
  • Re: [votca] Re: potential_shift.pl error in VOTCA for bonded potentials Christoph Junghans
• [votca] Understanding hexane_cg.xml file in tutorials Satyen Dhamankar
  • Re: [votca] Understanding hexane_cg.xml file in tutorials Christoph Junghans
  • Re: [votca] Understanding hexane_cg.xml file in tutorials Satyen Dhamankar
• [votca] Debugging IBI simulation with nonbonded and bonded interaction in coarse-grained solvent Satyen Dhamankar
  • Re: [votca] Debugging IBI simulation with nonbonded and bonded interaction in coarse-grained solvent Christoph Junghans
  • Re: [votca] Debugging IBI simulation with nonbonded and bonded interaction in coarse-grained solvent Satyen Dhamankar
• [votca] Error with GROMACS in topology file Satyen Dhamankar
  • Re: [votca] Error with GROMACS in topology file Christoph Junghans
  • Re: [votca] Error with GROMACS in topology file Christoph Junghans
  • Re: [votca] Error with GROMACS in topology file Satyen Dhamankar
• [votca] Debugging IBI for simulation Satyen Dhamankar
  • Re: [votca] Debugging IBI for simulation Christoph Junghans
  • Re: [votca] Debugging IBI for simulation Satyen Dhamankar
  • Re: [votca] Debugging IBI for simulation Christoph Junghans
  • Re: [votca] Debugging IBI for simulation Satyen Dhamankar
  • Re: [votca] Debugging IBI for simulation Christoph Junghans
  • Re: [votca] Debugging IBI for simulation Satyen Dhamankar
• [votca] Criteria used in generating .dat files for LAMMPS in VOTCA Rishabh Guha
  • Re: [votca] Criteria used in generating .dat files for LAMMPS in VOTCA Christoph Junghans
• [votca] Votca 2021.1 released Christoph Junghans
• [votca] C++ Compiler issue AKASH BANERJEE
  • [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue 'David Rosenberger' via votca
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Mohsen Farshad
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
  • Re: [votca] Fwd: C++ Compiler issue Christoph Junghans
• Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Rishabh Guha
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Rishabh Guha
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Rishabh Guha
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Rishabh Guha
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Rishabh Guha
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Rishabh Guha
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Rishabh Guha
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Rishabh Guha
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Rishabh Guha
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
  • Re: [votca] Error in using csg_map with a pdb file Christoph Junghans
• [votca] Installed VOTCA-CSG using sudo apt-get votca...what next? 'Tushita Rohilla' via votca
  • Re: [votca] Installed VOTCA-CSG using sudo apt-get votca...what next? Christoph Junghans
  • Re: [votca] Installed VOTCA-CSG using sudo apt-get votca...what next? 'Tushita Rohilla' via votca
  • Re: [votca] Installed VOTCA-CSG using sudo apt-get votca...what next? Christoph Junghans
  • Re: [votca] Installed VOTCA-CSG using sudo apt-get votca...what next? 'Tushita Rohilla' via votca
  • Re: [votca] Installed VOTCA-CSG using sudo apt-get votca...what next? Christoph Junghans
  • Re: [votca] Installed VOTCA-CSG using sudo apt-get votca...what next? 'Tushita Rohilla' via votca
• [votca] XTP orca parallel issue Thibaut Wohrer
  • [votca] Re: XTP orca parallel issue Ruben Gerritsen
  • [votca] Re: XTP orca parallel issue Ruben Gerritsen
• [votca] Installation fails, recipe for target 'all' failed Arash Elahi
  • Re: [votca] Installation fails, recipe for target 'all' failed Christoph Junghans
  • Re: [votca] Installation fails, recipe for target 'all' failed Arash Elahi
  • Re: [votca] Installation fails, recipe for target 'all' failed Christoph Junghans
• [votca] votca installation error venkat
  • Re: [votca] votca installation error Christoph Junghans
  • Re: [votca] votca installation error venkat
• [votca] Error "source type value could not be interpreted as target" about graphene mapping mengyy zhou
  • [votca] Re: Error "source type value could not be interpreted as target" about graphene mapping mengyy zhou
  • Re: [votca] Re: Error "source type value could not be interpreted as target" about graphene mapping Christoph Junghans
  • Re: [votca] Re: Error "source type value could not be interpreted as target" about graphene mapping mengyy zhou
  • Re: [votca] Re: Error "source type value could not be interpreted as target" about graphene mapping Christoph Junghans
  • Re: [votca] Re: Error "source type value could not be interpreted as target" about graphene mapping mengyy zhou
  • Re: [votca] Re: Error "source type value could not be interpreted as target" about graphene mapping mengyy zhou
  • Re: [votca] Re: Error "source type value could not be interpreted as target" about graphene mapping Christoph Junghans
  • Re: [votca] Re: Error "source type value could not be interpreted as target" about graphene mapping mengyy zhou
• [votca] Unable to finish XTP qm calculations tutorial Thibaut Wohrer
  • [votca] Re: Unable to finish XTP qm calculations tutorial Jens Wehner
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Thibaut Wohrer
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Christoph Junghans
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Thibaut Wohrer
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Christoph Junghans
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Thibaut Wohrer
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Jens Wehner
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Jens Wehner
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Jens Wehner
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Thibaut Wohrer
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Jens Wehner
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Thibaut Wohrer
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Jens Wehner
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Thibaut Wohrer
  • Re: [votca] Re: Unable to finish XTP qm calculations tutorial Jens Wehner
• [votca] Energy divergence when performing coarse-grained simulation Satyen Dhamankar
  • Re: [votca] Energy divergence when performing coarse-grained simulation Christoph Junghans
  • Re: [votca] Energy divergence when performing coarse-grained simulation Satyen Dhamankar
  • Re: [votca] Energy divergence when performing coarse-grained simulation Christoph Junghans
  • Re: [votca] Energy divergence when performing coarse-grained simulation Satyen Dhamankar
  • Re: [votca] Energy divergence when performing coarse-grained simulation Satyen Dhamankar
  • Re: [votca] Energy divergence when performing coarse-grained simulation Christoph Junghans
  • Re: [votca] Energy divergence when performing coarse-grained simulation Satyen Dhamankar
  • Re: [votca] Energy divergence when performing coarse-grained simulation Christoph Junghans
  • Re: [votca] Energy divergence when performing coarse-grained simulation Christoph Junghans
  • Re: [votca] Energy divergence when performing coarse-grained simulation Satyen Dhamankar
  • Re: [votca] Energy divergence when performing coarse-grained simulation Christoph Junghans
  • Re: [votca] Energy divergence when performing coarse-grained simulation Satyen Dhamankar
  • Re: [votca] Energy divergence when performing coarse-grained simulation Christoph Junghans
• [votca] What is the purpose of the fmatch tags in the propane tutorial? Satyen Dhamankar
  • Re: [votca] What is the purpose of the fmatch tags in the propane tutorial? Christoph Junghans
• [votca] Propane IBI tutorial taking a long time Satyen Dhamankar
  • Re: [votca] Propane IBI tutorial taking a long time Christoph Junghans
  • Re: [votca] Propane IBI tutorial taking a long time Satyen Dhamankar
  • Re: [votca] Propane IBI tutorial taking a long time Christoph Junghans
  • Re: [votca] Propane IBI tutorial taking a long time Satyen Dhamankar
  • Re: [votca] Propane IBI tutorial taking a long time Satyen Dhamankar

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