Amber Archive Feb 2025 by date

74 messages: Starting Sun Feb 02 2025 - 12:30:02 PST, Ending Fri Feb 28 2025 - 14:00:02 PST
This period: Most recent messages
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Sunday, 2 February 2025
- [AMBER] Incorporating constant pressure in input file for 3drsim calcualtion angad sharma via AMBER
- [AMBER] Scaling parameters in igb=8 Tej Tarun Sharma 2310225 via AMBER
Monday, 3 February 2025
- [AMBER] The problem with reading topology file in LES with restraints simulating Кунина, Елизавета Игоревна via AMBER
- Re: [AMBER] Scaling parameters in igb=8 David A Case via AMBER
- Re: [AMBER] The problem with reading topology file in LES with restraints simulating David A Case via AMBER
- Re: [AMBER] Generating GAFF for Conformational Polymorphs Pradip Si via AMBER
- [AMBER] Issue of temperature fluctuation in RAMD on GPU & possible solution as0200264 via AMBER
- [AMBER] Conversion factor in LJ parameters for RISM angad sharma via AMBER
Tuesday, 4 February 2025
- Re: [AMBER] Amber metal ions protein multiple chains Iglika Lessigiarska via AMBER
- [AMBER] Uranyl Simulation Discrepancy Between CPU and GPU KLEIN Jordan via AMBER
Wednesday, 5 February 2025
- [AMBER] ReaxFF/AMBER inconsistency Dezsö Babai via AMBER
Thursday, 6 February 2025
- [AMBER] Conversion factor in LJ parameters for RISM angad sharma via AMBER
- [AMBER] addles.in for LES Кунина, Елизавета Игоревна via AMBER
Friday, 7 February 2025
- [AMBER] HPO4- and PO4- Gabriel Ernesto Jara via AMBER
Sunday, 9 February 2025
- [AMBER] Metal nano cluster simulation Rinsha Chk via AMBER
Monday, 10 February 2025
- [AMBER] M3 Mac struggling to install Amber Luke Allfree via AMBER
- [AMBER] Issue with Water Box Breaking in CUDA MD Simulations TUSHAR GUPTA via AMBER
- Re: [AMBER] HPO4- and PO4- David A Case via AMBER
- Re: [AMBER] M3 Mac struggling to install Amber David A Case via AMBER
- Re: [AMBER] Issue with Water Box Breaking in CUDA MD Simulations David A Case via AMBER
- Re: [AMBER] HPO4- and PO4- Gabriel Ernesto Jara via AMBER
- Re: [AMBER] HPO4- and PO4- Jones De Andrade via AMBER
- Re: [AMBER-Developers] [AMBER] M3 Mac struggling to install Amber David A Case via AMBER-Developers
- [AMBER] Clarification on Conversion of Lennard-Jones Parameters for RISM Calculations Pooja Pooja via AMBER
Tuesday, 11 February 2025
- Re: [AMBER] Uranyl Simulation Discrepancy Between CPU and GPU David A Case via AMBER
- [AMBER] RNA aptamer setup Debarati DasGupta via AMBER
- Re: [AMBER] Position restraints in NPT May Kevin via AMBER
Wednesday, 12 February 2025
- [AMBER] Installation error on Mac M2 INDAH LANGITASARI via AMBER
- [AMBER] Installation error on Mac M2 INDAH LANGITASARI via AMBER
- [AMBER] Installation error on Mac M2 INDAH LANGITASARI via AMBER
- Re: [AMBER] Installation error on Mac M2 David A Case via AMBER
- [AMBER] Initial RTX5080 Numbers Ross Walker via AMBER
Thursday, 13 February 2025
- Re: [AMBER] addles.in for LES David A Case via AMBER
- [AMBER] Extracting bias potential information from AMBER metadynamics Sonti Siddharth via AMBER
Friday, 14 February 2025
- [AMBER] Question about Wall Restraints Performance in ABMD Simulations 孟令屾 via AMBER
- [AMBER] Issues with 12-6-4 Nell Karpinski via AMBER
- Re: [AMBER] Issues with 12-6-4 Li, Zhen via AMBER
Sunday, 16 February 2025
- Re: [AMBER] Issue with Water Box Breaking in CUDA MD Simulations TUSHAR GUPTA via AMBER
Monday, 17 February 2025
- [AMBER] Calculating Viscosity. MD FAHIM NEWAZ via AMBER
- Re: [AMBER] Help with MMPBSA.PY Pairwise Decomposition Results Gabriel Ernesto Jara via AMBER
- Re: [AMBER] HPO4- and PO4- Gabriel Ernesto Jara via AMBER
- [AMBER] Implementig AMBER 24 VERONICA MARTIN HERNANDEZ via AMBER
- Re: [AMBER] Issue with Water Box Breaking in CUDA MD Simulations David A Case via AMBER
- Re: [AMBER] Implementig AMBER 24 David A Case via AMBER
- [AMBER] Regarding Dihedral Restraints in MD simulation Devid Sahu via AMBER
Tuesday, 18 February 2025
- Re: [AMBER] Issue with Water Box Breaking in CUDA MD Simulations Dr. Anselm Horn via AMBER
- Re: [AMBER] Implementig AMBER 24 VERONICA MARTIN HERNANDEZ via AMBER
- Re: [AMBER] Regarding Dihedral Restraints in MD simulation Carlos Simmerling via AMBER
- Re: [AMBER] Question about Wall Restraints Performance in ABMD Simulations Feng Pan via AMBER
- Re: [AMBER] Help with MMPBSA.PY Pairwise Decomposition Results Ray Luo via AMBER
- Re: [AMBER] Regarding Dihedral Restraints in MD simulation Solen Ekesan via AMBER
Wednesday, 19 February 2025
- [AMBER] Changing the number of ntwx Ibrahim Said via AMBER
- Re: [AMBER] Regarding Dihedral Restraints in MD simulation Carlos Simmerling via AMBER
- [AMBER] Amber and Martini James Kress via AMBER
Thursday, 20 February 2025
- Re: [AMBER] Amber and Martini Adrian Roitberg via AMBER
- Re: [AMBER] Help with MMPBSA.PY Pairwise Decomposition Results Gabriel Ernesto Jara via AMBER
- Re: [AMBER] Amber and Martini James Kress via AMBER
Friday, 21 February 2025
- [AMBER] parameters for non canonical amino acid with silicon Rosa Teijeiro Juiz via AMBER
- Re: [AMBER] Issue with Water Box Breaking in CUDA MD Simulations TUSHAR GUPTA via AMBER
Saturday, 22 February 2025
- Re: [AMBER] Implementig AMBER 24 David A Case via AMBER
- Re: [AMBER] parameters for non canonical amino acid with silicon David A Case via AMBER
Monday, 24 February 2025
- [AMBER] Minimization run error Sudipti Priyadarsinee via AMBER
Tuesday, 25 February 2025
- [AMBER] Conference Announcement: 37th Molecular Modelling Workshop in Erlangen, Germany - March 31 - April 2 Dr. Anselm Horn via AMBER
- Re: [AMBER] Minimization run error David A Case via AMBER
- [AMBER] CUDA compilation after PLUMED patching Kriti Shukla via AMBER
Wednesday, 26 February 2025
- Re: [AMBER] CUDA compilation after PLUMED patching Yunhao Mei via AMBER
Thursday, 27 February 2025
- Re: [AMBER] CUDA compilation after PLUMED patching David A Case via AMBER
- [AMBER] Alternatives to NVIDIA GPUs James Kress via AMBER
- Re: [AMBER] Alternatives to NVIDIA GPUs Jones de Andrade via AMBER
- Re: [AMBER] Alternatives to NVIDIA GPUs James Kress via AMBER
Friday, 28 February 2025
- Re: [AMBER] Alternatives to NVIDIA GPUs Ross Walker via AMBER
- [AMBER] Converting a CHARMM Based pdb to Amber based pdb Sruthi Sudhakar via AMBER
- Re: [AMBER] Alternatives to NVIDIA GPUs James Kress via AMBER
- Re: [AMBER] Alternatives to NVIDIA GPUs Ross Walker via AMBER

Last message date: Fri Feb 28 2025 - 14:00:02 PST
Archived on: Wed Apr 23 2025 - 05:56:30 PDT