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• [votca] Votca 2026 released Christoph Junghans
• [votca] Couple of questions regarding the SW potential obtained via FM Cecília Álvares
  • Re: [votca] Couple of questions regarding the SW potential obtained via FM Christoph Junghans
  • Re: [votca] Couple of questions regarding the SW potential obtained via FM Cecília Álvares
• [votca] Votca 2025.1 released Christoph Junghans
• [votca] Defining spline min/max for FM Franz Goerlich
  • Re: [votca] Defining spline min/max for FM Christoph Junghans
• [votca] Defining FM intervals with unsampled regions Franz Goerlich
• [votca] run_gromacs.sh: grompp binary 'grompp' not found avinesh ojha
  • Re: [votca] run_gromacs.sh: grompp binary 'grompp' not found Christoph Junghans
  • Re: [votca] run_gromacs.sh: grompp binary 'grompp' not found avinesh ojha
  • Re: [votca] run_gromacs.sh: grompp binary 'grompp' not found Christoph Junghans
  • Re: [votca] run_gromacs.sh: grompp binary 'grompp' not found Christoph Junghans
  • Re: [votca] run_gromacs.sh: grompp binary 'grompp' not found avinesh ojha
  • Re: [votca] run_gromacs.sh: grompp binary 'grompp' not found Christoph Junghans
  • Re: [votca] run_gromacs.sh: grompp binary 'grompp' not found avinesh ojha
  • Re: [votca] run_gromacs.sh: grompp binary 'grompp' not found Christoph Junghans
  • Re: [votca] run_gromacs.sh: grompp binary 'grompp' not found avinesh ojha
  • Re: [votca] run_gromacs.sh: grompp binary 'grompp' not found Christoph Junghans
• [votca] Re: VOTCA xtp_map "atom entry is not well formatted" Jens Wehner
• [votca] Force Matching Resulting Plots 'HET PATEL' via votca
  • Re: [votca] Force Matching Resulting Plots Christoph Junghans
  • Re: [votca] Force Matching Resulting Plots 'HET PATEL' via votca
  • Re: [votca] Force Matching Resulting Plots Akash Banerjee
  • Re: [votca] Force Matching Resulting Plots 'HET PATEL' via votca
  • Re: [votca] Force Matching Resulting Plots Akash Banerjee
• [votca] Issues running csg_inverse in the tutorials. 'ARTHUR LIN' via votca
  • Re: [votca] Issues running csg_inverse in the tutorials. Christoph Junghans
  • Re: [votca] Issues running csg_inverse in the tutorials. 'ARTHUR LIN' via votca
  • Re: [votca] Issues running csg_inverse in the tutorials. Christoph Junghans
  • Re: [votca] Issues running csg_inverse in the tutorials. 'ARTHUR LIN' via votca
• [votca] VOTCA running error Pratyasha Bhardwaj
  • Re: [votca] VOTCA running error Christoph Junghans
• [votca] Error while calculating csg_stat Pratyasha Bhardwaj
  • Re: [votca] Error while calculating csg_stat Christoph Junghans
• [votca] Tabulated Potential in LAMMPS Pratyasha Bhardwaj
  • [votca] Re: Tabulated Potential in LAMMPS Pratyasha Bhardwaj
  • Re: [votca] Re: Tabulated Potential in LAMMPS Christoph Junghans
  • Re: [votca] Re: Tabulated Potential in LAMMPS Pratyasha Bhardwaj
  • Re: [votca] Re: Tabulated Potential in LAMMPS Christoph Junghans
  • Re: [votca] Re: Tabulated Potential in LAMMPS Christoph Junghans
  • Re: [votca] Re: Tabulated Potential in LAMMPS Christoph Junghans
• [votca] Initila CG force field Najib Al-Shaibani
  • Re: [votca] Initila CG force field Christoph Junghans
• [votca] Votca 2024.2 released Christoph Junghans
• [votca] Votca 2024.1 released Christoph Junghans
• [votca] Relative entropy error in votca SAYAN DUTTA
  • Re: [votca] Relative entropy error in votca Christoph Junghans
  • Re: [votca] Relative entropy error in votca SAYAN DUTTA
  • Re: [votca] Relative entropy error in votca Christoph Junghans
  • Re: [votca] Relative entropy error in votca SAYAN DUTTA
  • Re: [votca] Relative entropy error in votca Christoph Junghans
  • Re: [votca] Relative entropy error in votca SAYAN DUTTA
  • Re: [votca] Relative entropy error in votca Christoph Junghans
  • Re: [votca] Relative entropy error in votca SAYAN DUTTA
  • Re: [votca] Relative entropy error in votca Christoph Junghans
  • Re: [votca] Relative entropy error in votca SAYAN DUTTA
  • Re: [votca] Relative entropy error in votca Christoph Junghans
• [votca] segmentation error in csg_stat Pratyasha Bhardwaj
  • Re: [votca] segmentation error in csg_stat Christoph Junghans
  • Re: [votca] segmentation error in csg_stat Pratyasha Bhardwaj
  • Re: [votca] segmentation error in csg_stat Christoph Junghans
• [votca] Distributions with Iterative Boltzmann Inversion and LAMMPS 'Joerg-Ruediger Hill' via votca
  • Re: [votca] Distributions with Iterative Boltzmann Inversion and LAMMPS Christoph Junghans
  • Re: [votca] Distributions with Iterative Boltzmann Inversion and LAMMPS 'Joerg-Ruediger Hill' via votca
  • Re: [votca] Distributions with Iterative Boltzmann Inversion and LAMMPS Christoph Junghans
  • Re: [votca] Distributions with Iterative Boltzmann Inversion and LAMMPS 'Joerg-Ruediger Hill' via votca
  • Re: [votca] Distributions with Iterative Boltzmann Inversion and LAMMPS Christoph Junghans
• [votca] CG mapping of molecule with symmetrical topology Roozbeh R
  • Re: [votca] CG mapping of molecule with symmetrical topology Christoph Junghans
  • Re: [votca] CG mapping of molecule with symmetrical topology Roozbeh R
  • Re: [votca] CG mapping of molecule with symmetrical topology Christoph Junghans
  • Re: [votca] CG mapping of molecule with symmetrical topology Roozbeh R
  • Re: [votca] CG mapping of molecule with symmetrical topology Christoph Junghans
  • Re: [votca] CG mapping of molecule with symmetrical topology Roozbeh R
  • Re: [votca] CG mapping of molecule with symmetrical topology Christoph Junghans
• [votca] Regarding using PMF as effective potential. 'YUVRAJ SINGH' via votca
  • Re: [votca] Regarding using PMF as effective potential. Christoph Junghans
• [votca] problem in building VOTCA Roozbeh R
  • Re: [votca] problem in building VOTCA Christoph Junghans
  • Re: [votca] problem in building VOTCA Roozbeh R
  • Re: [votca] problem in building VOTCA Christoph Junghans
  • Re: [votca] problem in building VOTCA Christoph Junghans
  • Re: [votca] problem in building VOTCA Christoph Junghans
  • Re: [votca] problem in building VOTCA Roozbeh R
  • Re: [votca] problem in building VOTCA Christoph Junghans
  • Re: [votca] problem in building VOTCA Roozbeh R
• [votca] Mapping Block-copolymer Pratyasha Bhardwaj
  • Re: [votca] Mapping Block-copolymer Christoph Junghans
  • Re: [votca] Mapping Block-copolymer Pratyasha Bhardwaj
  • Re: [votca] Mapping Block-copolymer Christoph Junghans
  • Re: [votca] Mapping Block-copolymer Christoph Junghans
  • Re: [votca] Mapping Block-copolymer Pratyasha Bhardwaj
  • Re: [votca] Mapping Block-copolymer Christoph Junghans
  • Re: [votca] Mapping Block-copolymer Pratyasha Bhardwaj
• [votca] How to use steepest decent in re minimization? dd ding
  • Re: [votca] How to use steepest decent in re minimization? Christoph Junghans
  • Re: [votca] How to use steepest decent in re minimization? dd ding
• [votca] Votca 2024 released Christoph Junghans
• Re: [votca] Topology does not have beads of type "A" shu zong
  • Re: [votca] Topology does not have beads of type "A" Christoph Junghans
  • Re: [votca] Topology does not have beads of type "A" shu zong
  • Re: [votca] Topology does not have beads of type "A" Christoph Junghans
  • Re: [votca] Topology does not have beads of type "A" shu zong
  • Re: [votca] Topology does not have beads of type "A" Christoph Junghans
• [votca] Votca 2023 released Christoph Junghans
• [votca] Ask questions shu zong
  • Re: [votca] Ask questions Christoph Junghans
• [votca] reading tpx file (topol.tpr) version 122 with version 119 program shu zong
  • Re: [votca] reading tpx file (topol.tpr) version 122 with version 119 program Christoph Junghans
  • Re: [votca] reading tpx file (topol.tpr) version 122 with version 119 program shu zong
  • Re: [votca] reading tpx file (topol.tpr) version 122 with version 119 program Christoph Junghans
• [votca] Specifying coefficients d_Ii in force-matching Cecília Álvares
• [votca] mapping two different molecules for ibi Saeed Norouzi
  • Re: [votca] mapping two different molecules for ibi Christoph Junghans
  • Re: [votca] mapping two different molecules for ibi Christoph Junghans
• [votca] Topology does not have beads of type, which was specified in type1 of interaction "*-*" Ran Zhao
  • Re: [votca] Topology does not have beads of type, which was specified in type1 of interaction "*-*" Christoph Junghans
  • Re: [votca] Topology does not have beads of type, which was specified in type1 of interaction "*-*" Ran Zhao
  • [votca] Topology does not have beads of type, which was specified in type1 of interaction "*-*" Ran Zhao
• [votca] When doing an IbI process conbining with LAMMPS, can I use LJ units in lammps? Ran Zhao
  • Re: [votca] When doing an IbI process conbining with LAMMPS, can I use LJ units in lammps? Christoph Junghans
  • Re: [votca] When doing an IbI process conbining with LAMMPS, can I use LJ units in lammps? Ran Zhao
  • Re: [votca] When doing an IbI process conbining with LAMMPS, can I use LJ units in lammps? Ran Zhao
• [votca] units in votca Saeed Norouzi
  • Re: [votca] units in votca Christoph Junghans
  • Re: [votca] units in votca Saeed Norouzi
  • Re: [votca] units in votca Cecília Álvares
  • Re: [votca] units in votca Saeed Norouzi
  • Re: [votca] units in votca Christoph Junghans
  • Re: [votca] units in votca Saeed Norouzi
  • Re: [votca] units in votca Cecília Álvares
  • Re: [votca] units in votca Saeed Norouzi
• [votca] Problem with file state.hdf5 Victor Zh
• [votca] "Partial potential fitting" with force matching Cecília Álvares
  • Re: [votca] "Partial potential fitting" with force matching Christoph Junghans
  • Re: [votca] "Partial potential fitting" with force matching Cecília Álvares
  • Re: [votca] "Partial potential fitting" with force matching Christoph Junghans
  • Re: [votca] "Partial potential fitting" with force matching Cecília Álvares
• [votca] Problem with extrapolation for bonds Saeed Norouzi
  • Re: [votca] Problem with extrapolation for bonds Christoph Junghans
  • Re: [votca] Problem with extrapolation for bonds Saeed Norouzi
  • Re: [votca] Problem with extrapolation for bonds Christoph Junghans
  • Re: [votca] Problem with extrapolation for bonds Saeed Norouzi
  • Re: [votca] Problem with extrapolation for bonds Christoph Junghans
  • Re: [votca] Problem with extrapolation for bonds Saeed Norouzi
  • Re: [votca] Problem with extrapolation for bonds Christoph Junghans
  • Re: [votca] Problem with extrapolation for bonds Saeed Norouzi
  • Re: [votca] Problem with extrapolation for bonds Christoph Junghans
• [votca] VOTCA interpretation units dump file Cecília Álvares
  • [votca] Re: VOTCA interpretation units dump file Cecília Álvares
  • Re: [votca] Re: VOTCA interpretation units dump file Christoph Junghans
  • Re: [votca] Re: VOTCA interpretation units dump file Cecília Álvares
  • Re: [votca] Re: VOTCA interpretation units dump file Cecília Álvares
  • Re: [votca] Re: VOTCA interpretation units dump file Christoph Junghans
  • Re: [votca] Re: VOTCA interpretation units dump file Cecília Álvares
• [votca] csg_dump creates different results for LAMMPS and GROMACS Philipp Rosenauer
  • Re: [votca] csg_dump creates different results for LAMMPS and GROMACS Christoph Junghans
• [votca] RDF peak for non-bonded interaction not converging Sanjeet Singh
  • Re: [votca] RDF peak for non-bonded interaction not converging Christoph Junghans
  • Re: [votca] RDF peak for non-bonded interaction not converging Sanjeet Singh
  • Re: [votca] RDF peak for non-bonded interaction not converging Sanjeet Singh
  • Re: [votca] RDF peak for non-bonded interaction not converging Christoph Junghans
• [votca] Fwd: 2023 LAMMPS Workshop & Symposium Christoph Junghans
• [votca] Curious question FM unsampled regions Cecília Álvares
  • Re: [votca] Curious question FM unsampled regions Christoph Junghans
  • Re: [votca] Curious question FM unsampled regions Cecília Álvares
• [votca] Types of Simulations using VOTCA Gangotree Rai
  • [votca] Re: Types of Simulations using VOTCA Christoph Junghans
• [votca] Votca compatibility in GROMACS Gangotree Rai
  • [votca] Re: Votca compatibility in GROMACS Christoph Junghans
  • [votca] Fwd: Votca compatibility in GROMACS Gangotree Rai
  • [votca] Re: Votca compatibility in GROMACS Christoph Junghans
• [votca] Question on the error of the FM Cecília Álvares
  • Re: [votca] Question on the error of the FM Christoph Junghans
  • Re: [votca] Question on the error of the FM Cecília Álvares
• [votca] Regarding csg_boltzmann tool: Kankana Bhattacharjee
• [votca] non-continuous domain interval for non-bonded interaction in force-matching Cecília Álvares
  • [votca] Re: non-continuous domain interval for non-bonded interaction in force-matching Cecília Álvares
  • [votca] Re: non-continuous domain interval for non-bonded interaction in force-matching Cecília Álvares
  • Re: [votca] Re: non-continuous domain interval for non-bonded interaction in force-matching Christoph Junghans
  • Re: [votca] Re: non-continuous domain interval for non-bonded interaction in force-matching Cecília Álvares
• [votca] Generating-CG-itp-files: Kankana Bhattacharjee
  • Re: [votca] Generating-CG-itp-files: Christoph Junghans
• [votca] Possible typo in equation (22) of VOTCA's paper? Cecília Álvares
  • [votca] Re: Possible typo in equation (22) of VOTCA's paper? Cecília Álvares
• [votca] Typo in equation (22) of VOTCA's publication? Cecília Álvares
  • [votca] Re: Typo in equation (22) of VOTCA's publication? Cecília Álvares
  • [votca] Re: Typo in equation (22) of VOTCA's publication? Cecília Álvares
  • [votca] Re: Typo in equation (22) of VOTCA's publication? Cecília Álvares
• [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
  • Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
  • Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
  • Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
  • Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
  • Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
  • Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
  • Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
  • Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
  • Re: [votca] Regarding-Getting-itp-files: Christoph Junghans

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