Amber Archive May 2026 by messages with attachments

53 messages: Starting Mon May 04 2026 - 03:00:02 PDT, Ending Sat May 30 2026 - 09:00:02 PDT
This period: Most recent messages
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[AMBER] Bending in helical region of bHLH Transcription factor Surabhi Singh 24933024 via AMBER (Tue May 05 2026 - 23:37:42 PDT)
1. wild.png (139640 bytes)
2. bend.png (124458 bytes)
[AMBER] pmemd26 vs ambertools26 Weatherby,Gerard via AMBER (Wed May 13 2026 - 07:47:20 PDT)
1. image001.jpg (49581 bytes)
[AMBER] Three patches for AmberTools26 Charo del Genio via AMBER (Fri May 15 2026 - 07:16:15 PDT)
1. moft_boost.patch (1984 bytes)
2. pytraj.patch (592 bytes)
3. quick_cuda.patch (2836 bytes)
[AMBER] Simulation instability during equilibration of protein-ligand-membrane system.(Problem: vlimit exceeded ) Arti 2410204 via AMBER (Wed May 20 2026 - 22:58:59 PDT)
1. vlimit_exceed.txt (1486 bytes)
[AMBER] From Punch Cards to AI-Powered HPC: A 40-Year Journey in Computational Chemistry Infrastructure Gert Kruger via AMBER (Thu May 21 2026 - 03:08:35 PDT)
1. kruger-2026-from-punch-cards-to-ai-powered-hpc-a-40-year-journey-in-computational-chemistry-infrastructure-1.pdf (362636 bytes)
[AMBER] MM-PBSA Problem ElBagoury, Abdulrahman Walid Attia Ibrahim via AMBER (Thu May 21 2026 - 05:49:22 PDT)
1. d1f3-4691-8fd5-14b7f77ded78.jpg (15899 bytes)
Re: [AMBER] problems building pmemd26 with cuda support on ubuntu26. Charo del Genio via AMBER (Thu May 21 2026 - 06:03:40 PDT)
1. cuda_glibc.patch (822 bytes)