Amber Archive Jan 2022 by messages with attachments

254 messages: Starting Sat Jan 01 2022 - 03:00:02 PST, Ending Mon Jan 31 2022 - 18:30:02 PST
This period: Most recent messages
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[AMBER] Why SANDER can't rotate the dihedral for some angles? [Metal Center] Erdem Yeler (Sat Jan 01 2022 - 14:38:15 PST)
1. image.png (23878 bytes)
[AMBER] regading no tortion terms MIRA JHAWAR (Tue Jan 04 2022 - 03:22:34 PST)
1. morin.frcmod (837 bytes)
Re: [AMBER] tleap error: "expected 'default'" Matthew Guberman-Pfeffer (Fri Jan 07 2022 - 13:50:30 PST)
1. STE.mol2 (5287 bytes)
[AMBER] Amber20 minimization, the rendered .rst file is corrupted and unreadable Yi Ren (Fri Jan 07 2022 - 19:01:01 PST)
1. image001.png (287913 bytes)
[AMBER] MCPB.py error in GAMESS-US calculations ABDUL BASIT (Sat Jan 08 2022 - 05:51:00 PST)
1. 1HRC_small_opt.log (74915 bytes)
2. 1HRC_small_opt.inp (4707 bytes)
Re: [AMBER] Amber20 minimization, the rendered .rst file is corrupted and unreadable Yi Ren (Sat Jan 08 2022 - 16:59:24 PST)
1. PceA1_min.out (92082 bytes)
2. minimization.sh (418 bytes)
[AMBER] Multi-GPU oddity James Kress (Sun Jan 09 2022 - 15:30:11 PST)
1. 3GPUSnipImage.JPG (111297 bytes)
Re: [AMBER] regading no tortion terms MIRA JHAWAR (Sun Jan 09 2022 - 22:12:35 PST)
1. morin.frcmod (1961 bytes)
2. morin_opt.mol2 (1802 bytes)
[AMBER] Help in ligand preparation_antechamber Arooma Maryam (Mon Jan 10 2022 - 10:59:19 PST)
1. par.pdb (8955 bytes)
2. lig.am1bcc.mol2 (11980 bytes)
3. P04.png (263219 bytes)
Re: [AMBER] regading no tortion terms MIRA JHAWAR (Tue Jan 11 2022 - 07:30:52 PST)
1. morin.frcmod (1443 bytes)
2. morin.mol2 (3645 bytes)
3. morin_opt.mol2 (1802 bytes)
[AMBER] Multi-GPU Bug in Amber20 James Kress (Tue Jan 11 2022 - 10:51:51 PST)
1. 3GPUSnipImage.JPG (111297 bytes)
Re: [AMBER] How to solve Error: an illegal memory access was encountered launching kernel kClearForces on amber? natalia francisca rodriguez cabello (Fri Jan 14 2022 - 04:24:07 PST)
1. step5_production_PULL.mdin (1891 bytes)
2. nohup.out (624 bytes)
3. step5_production_PULL.out (15509 bytes)