votca

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2023/06/03 Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/06/03 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/06/03 Re: [votca] Re: non-continuous domain interval for non-bonded interaction in force-matching Christoph Junghans
2023/06/03 Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/06/03 Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/06/03 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/06/02 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/06/02 Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/06/02 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/06/02 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/06/02 Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/06/02 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/06/02 Fwd: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/06/02 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/06/01 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/06/01 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/06/01 Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/06/01 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/05/31 [votca] Regarding csg_boltzmann tool: Kankana Bhattacharjee
2023/05/31 [votca] Re: non-continuous domain interval for non-bonded interaction in force-matching Cecília Álvares
2023/05/31 [votca] Re: non-continuous domain interval for non-bonded interaction in force-matching Cecília Álvares
2023/05/31 [votca] non-continuous domain interval for non-bonded interaction in force-matching Cecília Álvares
2023/05/30 Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/05/30 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/05/30 Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/05/30 Re: [votca] Generating-CG-itp-files: Christoph Junghans
2023/05/30 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/05/30 Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/05/28 [votca] Generating-CG-itp-files: Kankana Bhattacharjee
2023/05/28 Re: [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/05/26 Re: [votca] Regarding-Getting-itp-files: Christoph Junghans
2023/05/26 [votca] Re: Possible typo in equation (22) of VOTCA's paper? Cecília Álvares
2023/05/26 [votca] Possible typo in equation (22) of VOTCA's paper? Cecília Álvares
2023/05/26 [votca] Re: Typo in equation (22) of VOTCA's publication? Cecília Álvares
2023/05/26 [votca] Re: Typo in equation (22) of VOTCA's publication? Cecília Álvares
2023/05/26 [votca] Re: Typo in equation (22) of VOTCA's publication? Cecília Álvares
2023/05/26 [votca] Typo in equation (22) of VOTCA's publication? Cecília Álvares
2023/05/25 [votca] Regarding-Getting-itp-files: Kankana Bhattacharjee
2023/05/22 [votca] VOTCA in homebrew Christoph Junghans
2023/05/22 Re: [votca] Error when do ibi for --first-frame 0' failed Christoph Junghans
2023/05/19 [votca] Re: Issue with kmcmultiple Jens Wehner
2023/05/19 [votca] Re: charge transport Jens Wehner
2023/05/19 Re: [votca] Regarding-Votca-Installation: Christoph Junghans
2023/05/19 [votca] Regarding-Votca-Installation: Kankana Bhattacharjee
2023/05/10 Re: [votca] Re: Problem converging to bonded potential (IBI) Christoph Junghans
2023/05/10 Re: [votca] Error when do ibi for --first-frame 0' failed Christoph Junghans
2023/05/10 [votca] Error when do ibi for --first-frame 0' failed Annie Wu
2023/05/10 [votca] Issue with kmcmultiple 张恒悦
2023/05/08 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/05/07 [votca] Re: Problem converging to bonded potential (IBI) Marvin Bernhardt
2023/05/06 [votca] charge transport Sue A.E.
2023/05/06 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/05/06 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/05/06 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/05/06 [votca] Re: Problem converging to bonded potential (IBI) Marvin Bernhardt
2023/05/05 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/05/05 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/05/05 [votca] Re: Problem converging to bonded potential (IBI) Marvin Bernhardt
2023/05/04 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/05/04 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/05/02 Re: [votca] Regarding parallel run of Force Matching Sanjeet Singh
2023/05/01 Re: [votca] Regarding parallel run of Force Matching Christoph Junghans
2023/04/29 Re: [votca] Regarding parallel run of Force Matching Sanjeet Singh
2023/04/28 Re: [votca] Regarding parallel run of Force Matching Christoph Junghans
2023/04/28 [votca] Regarding parallel run of Force Matching Sanjeet Singh
2023/04/27 Re: [votca] Error when installing VOTCA on macOS Ventura 13.0.1 zongyun tsai
2023/04/26 Re: [votca] Error when installing VOTCA on macOS Ventura 13.0.1 Christoph Junghans
2023/04/26 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/04/26 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/04/26 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/04/26 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/04/25 [votca] Re: Problem converging to bonded potential (IBI) Marvin Bernhardt
2023/04/25 Re: [votca] Error when installing VOTCA on macOS Ventura 13.0.1 zongyun tsai
2023/04/25 Re: [votca] Error when installing VOTCA on macOS Ventura 13.0.1 Christoph Junghans
2023/04/25 [votca] Re: Problem converging to bonded potential (IBI) Cecília Álvares
2023/04/25 Re: [votca] Error when installing VOTCA on macOS Ventura 13.0.1 zongyun tsai
2023/04/24 [votca] Re: Problem converging to bonded potential (IBI) Marvin Bernhardt
2023/04/24 Re: [votca] Error when installing VOTCA on macOS Ventura 13.0.1 Christoph Junghans
2023/04/23 Re: [votca] Error when installing VOTCA on macOS Ventura 13.0.1 zongyun tsai
2023/04/23 Re: [votca] Error when installing VOTCA on macOS Ventura 13.0.1 Christoph Junghans
2023/04/23 [votca] Error when installing VOTCA on macOS Ventura 13.0.1 zongyun tsai
2023/04/09 Re: [votca] Some question about only using single tabular potential in gromacs Ran Zhao
2023/04/09 Re: [votca] Some question about only using single tabular potential in gromacs Christoph Junghans
2023/04/09 [votca] Some question about only using single tabular potential in gromacs Ran Zhao
2023/04/07 [votca] Some Issues on XTP 张恒悦
2023/03/02 Re: [votca] Regarding CG approach to be used for deriving the potential for Homopolymer Electrolytes system Sanjeet Singh
2023/03/02 Re: [votca] Problem in reading mol id from .dump LAMMPS file Sanjeet Singh
2023/02/28 Re: [votca] Problem in reading mol id from .dump LAMMPS file Christoph Junghans
2023/02/27 Re: [votca] Problem in reading mol id from .dump LAMMPS file Sanjeet Singh
2023/02/27 Re: [votca] Problem in reading mol id from .dump LAMMPS file Christoph Junghans
2023/02/26 [votca] Problem in reading mol id from .dump LAMMPS file Sanjeet Singh
2023/02/22 Re: [votca] Regarding CG approach to be used for deriving the potential for Homopolymer Electrolytes system Christoph Junghans
2023/02/22 Re: [votca] Regarding CG approach to be used for deriving the potential for Homopolymer Electrolytes system Sanjeet Singh
2023/02/20 Re: [votca] Regarding CG approach to be used for deriving the potential for Homopolymer Electrolytes system Christoph Junghans
2023/02/18 [votca] Regarding CG approach to be used for deriving the potential for Homopolymer Electrolytes system Sanjeet Singh
2023/02/17 Re: Re: [votca] Re: An issue in generating topology from Gmx file Christoph Junghans
2023/02/16 Re:Re: [votca] Re: An issue in generating topology from Gmx file 张恒悦
2023/02/15 Re: [votca] Re: An issue in generating topology from Gmx file Christoph Junghans
2023/02/15 Re: [votca] Re: An issue in generating topology from Gmx file 张恒悦
2023/02/14 Re: [votca] Re: An issue in generating topology from Gmx file Christoph Junghans
2023/02/13 [votca] An issue in generating topology from Gmx file 张恒悦
2023/02/03 Re: [votca] Regarding Trajectory files for force matching Christoph Junghans
2023/02/03 Re: [votca] Regarding Trajectory files for force matching Sanjeet Singh
2023/02/02 Re: [votca] Regarding Trajectory files for force matching Christoph Junghans
2023/02/01 [votca] Regarding Trajectory files for force matching Sanjeet Singh
2023/01/12 Re: [votca] Issue with execution of propane example with VOTCA and LAMMPS Christoph Junghans
2023/01/12 [votca] Issue with execution of propane example with VOTCA and LAMMPS 'Biswaroop Mukherjee' via votca
2023/01/06 [votca] Re: A issue about xtp_tools molpol Christoph Junghans
2023/01/04 Re: [votca] Limited bonded distribution for inner and outer table cutoff Christoph Junghans
2023/01/04 Re: [votca] Limited bonded distribution for inner and outer table cutoff Saeed Norouzi
2023/01/03 Re: [votca] Limited bonded distribution for inner and outer table cutoff Christoph Junghans
2023/01/03 Re: [votca] Limited bonded distribution for inner and outer table cutoff Saeed Norouzi
2023/01/02 Re: [votca] Limited bonded distribution for inner and outer table cutoff Christoph Junghans
2023/01/02 [votca] Limited bonded distribution for inner and outer table cutoff Saeed Norouzi
2022/12/24 [votca] Re: A Request of the Manual of Votca Christoph Junghans
2022/12/22 Re: [votca] IBI is not able to reproduce the Target RDF for some interaction in the system Christoph Junghans
2022/12/22 [votca] IBI is not able to reproduce the Target RDF for some interaction in the system Sanjeet Singh
2022/12/19 Re: [votca] rdf does not fall to one during ibi in polymer system Saeed Norouzi
2022/12/19 Re: [votca] rdf does not fall to one during ibi in polymer system Marvin Bernhardt
2022/12/19 Re: [votca] rdf does not fall to one during ibi in polymer system Saeed Norouzi
2022/11/18 Re: [votca] rdf does not fall to one during ibi in polymer system Christoph Junghans
2022/11/18 Re: [votca] rdf does not fall to one during ibi in polymer system Saeed Norouzi
2022/11/18 Re: [votca] rdf does not fall to one during ibi in polymer system Christoph Junghans
2022/11/14 Re: [votca] rdf does not fall to one Christoph Junghans
2022/11/11 Re: [votca] Regarding IBI for non-bonded interaction not converging Christoph Junghans
2022/11/11 Re: [votca] Regarding IBI for non-bonded interaction not converging Sanjeet Singh
2022/11/11 Re: [votca] Regarding IBI for non-bonded interaction not converging Christoph Junghans
2022/11/10 Re: [votca] rdf does not fall to one Victor Nazarychev
2022/11/10 Re: [votca] rdf does not fall to one Christoph Junghans
2022/11/10 Re: [votca] rdf does not fall to one Victor Nazarychev
2022/11/09 Re: [votca] Regarding IBI for non-bonded interaction not converging Christoph Junghans
2022/11/09 Re: [votca] Regarding IBI for non-bonded interaction not converging Sanjeet Singh
2022/11/09 Re: [votca] rdf does not fall to one Christoph Junghans
2022/11/09 [votca] rdf does not fall to one Victor Nazarychev
2022/11/09 Re: [votca] Re: Pressure Correction help Victor Nazarychev
2022/11/08 Re: [votca] Regarding IBI for non-bonded interaction not converging Christoph Junghans
2022/11/08 Re: [votca] Regarding IBI for non-bonded interaction not converging Sanjeet Singh
2022/11/08 Re: [votca] Regarding IBI for non-bonded interaction not converging Christoph Junghans
2022/11/07 Re: [votca] Regarding IBI for non-bonded interaction not converging Christoph Junghans
2022/11/06 Re: [votca] Error in reading box dimension from topology.xml file Sanjeet Singh
2022/11/06 Re: [votca] Error in reading box dimension from topology.xml file Christoph Junghans
2022/11/05 [votca] Error in reading box dimension from topology.xml file Sanjeet Singh
2022/11/01 Re: [votca] Regarding LAMMPS Data Reader in VOTCA Christoph Junghans
2022/10/31 [votca] Re: The error occurs, in initial guess for non-bonded potential in ibi process. Ran Zhao
2022/10/31 Re: [votca] Regarding LAMMPS Data Reader in VOTCA Sanjeet Singh
2022/10/31 Re: [votca] Regarding LAMMPS Data Reader in VOTCA Christoph Junghans
2022/10/31 [votca] Regarding LAMMPS Data Reader in VOTCA Sanjeet Singh
2022/10/31 [votca] Re: The error occurs, in initial guess for non-bonded potential in ibi process. Marvin Bernhardt
2022/10/30 Re: [votca] Re: Pressure Correction help Christoph Junghans
2022/10/30 Re: [votca] Re: Pressure Correction help Victor Nazarychev
2022/10/29 Re: [votca] Re: Pressure Correction help Christoph Junghans
2022/10/29 Re: [votca] Regarding Iterative Boltzmann Inversion Error Sanjeet Singh
2022/10/29 Re: [votca] Re: Pressure Correction help Victor Nazarychev
2022/10/28 Re: [votca] Regarding Iterative Boltzmann Inversion Error Christoph Junghans
2022/10/28 Re: [votca] Regarding Iterative Boltzmann Inversion Error Sanjeet Singh
2022/10/28 Re: [votca] Regarding Iterative Boltzmann Inversion Error Sanjeet Singh
2022/10/28 Re: [votca] Regarding Iterative Boltzmann Inversion Error Christoph Junghans
2022/10/28 [votca] Regarding Iterative Boltzmann Inversion Error Sanjeet Singh
2022/10/27 Re: [votca] Partial charges in the coarse-grained model Victor Nazarychev
2022/10/21 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Christoph Junghans
2022/10/21 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Sanjeet Singh
2022/10/20 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Christoph Junghans
2022/10/20 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Sanjeet Singh
2022/10/19 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Christoph Junghans
2022/10/19 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Sanjeet Singh
2022/10/19 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Christoph Junghans
2022/10/19 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Sanjeet Singh
2022/10/19 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Christoph Junghans
2022/10/18 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Sanjeet Singh
2022/10/18 Re: [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Christoph Junghans
2022/10/18 [votca] Regarding selection on min,max for getting the bonded potential using Boltzmann Inversion Sanjeet Singh
2022/09/30 Re: [votca] Partial charges in the coarse-grained model Christoph Junghans
2022/09/30 [votca] Partial charges in the coarse-grained model Victor Nazarychev
2022/09/24 Re: [votca] Error when installing VOTCA in Ubuntu 18.04 Christoph Junghans
2022/09/24 Re: [votca] Error when installing VOTCA in Ubuntu 18.04 Kim Foo
2022/09/22 Re: [votca] Error when installing VOTCA in Ubuntu 18.04 Christoph Junghans
2022/09/22 [votca] Error when installing VOTCA in Ubuntu 18.04 Kim Foo
2022/09/18 Re: [votca] Regarding Iterative Boltzmann inversion error Christoph Junghans
2022/09/18 [votca] Regarding Iterative Boltzmann inversion error Sanjeet Singh
2022/09/13 Re: [votca] Not able to get the .data extension file using csg_map Christoph Junghans
2022/09/13 [votca] Not able to get the .data extension file using csg_map Sanjeet Singh
2022/09/12 Re: [votca] Error in using csg_call command Christoph Junghans
2022/09/12 Re: [votca] Error in using csg_call command Sanjeet Singh
2022/09/11 Re: [votca] Error in using csg_call command Christoph Junghans
2022/09/11 Re: [votca] Error in using csg_call command Sanjeet Singh
2022/09/10 Re: [votca] Error in using csg_call command Christoph Junghans
2022/09/10 Re: [votca] Error in using csg_call command Sanjeet Singh
2022/09/10 Re: [votca] Error in using csg_call command Sanjeet Singh
2022/09/09 Re: [votca] Error in using csg_call command Christoph Junghans
2022/09/09 Re: [votca] Error in using csg_call command Sanjeet Singh
2022/09/09 Re: [votca] Error in using csg_call command Christoph Junghans
2022/09/09 [votca] Error in using csg_call command Sanjeet Singh
2022/09/07 Re: [votca] Problem in reading LAMMPS .xyz trajectory file using VOTCA Christoph Junghans
2022/09/07 Re: [votca] Problem in reading LAMMPS .xyz trajectory file using VOTCA Sanjeet Singh
2022/09/06 Re: [votca] Problem in reading LAMMPS .xyz trajectory file using VOTCA Christoph Junghans
2022/09/06 [votca] Problem in reading LAMMPS .xyz trajectory file using VOTCA Sanjeet Singh
2022/08/19 Re: [votca] Use votca with conda: an error:Error 'tpr' file format of file 'topol.tpr' cannot be read or written Christoph Junghans
2022/08/19 [votca] Use votca with conda: an error:Error 'tpr' file format of file 'topol.tpr' cannot be read or written Ran Zhao
2022/08/16 Re: [votca] VOTCA Installation on MacOS Anirban Mondal
2022/08/16 Re: [votca] VOTCA Installation on MacOS Christoph Junghans