Amber Archive Mar 2020 by messages with attachments

[AMBER] dvdl.dat file details AMBER18 TI Debarati DasGupta (Tue Mar 03 2020 - 07:48:35 PST)
1. E5DF8CC0320F4499852F3CBEDDDF752B.png (226333 bytes)
Re: [AMBER] CUDA single gpu usage issue Nicholas Moyer (Wed Mar 04 2020 - 08:24:59 PST)
1. image.png (79267 bytes)
[AMBER] Modified force fields ankita mehta (Thu Mar 05 2020 - 20:34:37 PST)
1. leaprc.ff100 (28420 bytes)
2. ja0273851_s1.pdf (46536 bytes)
3. Screenshot_13.png (97453 bytes)
[AMBER] AmberTools19 install error Raman Preet Singh (Sun Mar 08 2020 - 07:03:00 PDT)
1. 159C393E2BDA4AE6B6D4F441CE382071.png (94077 bytes)
2. 62FD7000ED7E48AFADAD1655FF6BA491.png (525159 bytes)
Re: [AMBER] Modified force fields ankita mehta (Sun Mar 08 2020 - 10:59:09 PDT)
1. Screenshot_14.png (88250 bytes)
2. Screenshot_15.png (55173 bytes)
Re: [AMBER] AmberTools19 install error Raman Preet Singh (Sun Mar 08 2020 - 10:59:22 PDT)
1. 5FD4F24F4DFB4224A357766F47B9D978.png (281866 bytes)
Re: [AMBER] Modified force fields ankita mehta (Sun Mar 08 2020 - 20:52:39 PDT)
1. ja0273851_s1.pdf (46536 bytes)
2. name.Frcmod (5230 bytes)
[AMBER] Modified force fields ankita mehta (Mon Mar 09 2020 - 09:40:12 PDT)
1. ja0273851_s1.pdf (46536 bytes)
2. name.Frcmod (5230 bytes)
[AMBER] QM/MM Convergence questions 辛志宏 (Mon Mar 09 2020 - 20:02:03 PDT)
1. 200-cluster.pdb (6553 bytes)
[AMBER] Incosistency in energy values from out files and cpptraj energy tools SHAUNAK BADANI (Tue Mar 10 2020 - 08:20:02 PDT)
1. cpptraj_energy.dat (254 bytes)
2. last_frame_energy.dat (561 bytes)
Re: [AMBER] Boron compunds with "pdb" file with novel frcmod file Erdem Yeler (Tue Mar 17 2020 - 05:56:31 PDT)
1. error.png (68536 bytes)
2. resp.mol2 (4753 bytes)
3. resp.pdb (4282 bytes)
4. ligand2.pdb (4282 bytes)
[AMBER] "Error of reading the .dat file" in MCPB.py step 2 Gustavo Seabra (Fri Mar 20 2020 - 14:42:18 PDT)
1. mcpb_s2.log (3063 bytes)
[AMBER] Clustering query Debarati DasGupta (Sun Mar 22 2020 - 10:37:06 PDT)
1. C579CA3C127E412AB3F2C66CAB11B2D2.png (81144 bytes)
[AMBER] questions about paramfit and frcmod file ttz (Sun Mar 22 2020 - 15:11:30 PDT)
1. cft.frcmod.modified (4304 bytes)
2. cft.frcmod.original (4304 bytes)
3. cft.mp2.mol2 (5206 bytes)
[AMBER] Installation problem for a parallel version of Amber18/AmberTools19 Kosuke Tachibana (Sun Mar 22 2020 - 21:02:09 PDT)
1. 03-11_16-05-59.log (39696 bytes)
2. 03-11_16-05-59_failures_and_errors_extracted.log (3254 bytes)
3. 03-11_16-05-59.diff (106985 bytes)
[AMBER] ** NFE-Error ** : Cannot read &colvar namelist! Vishal Reddy (Mon Mar 23 2020 - 05:56:37 PDT)
1. cv2.in (239462 bytes)
2. test2.in (649 bytes)
[AMBER] cross angle analysis Antonio Amber Carlesso (Tue Mar 24 2020 - 05:56:28 PDT)
1. image.png (68502 bytes)
Re: [AMBER] Installation problem for a parallel version of Amber18/AmberTools19 Kosuke Tachibana (Tue Mar 24 2020 - 08:57:37 PDT)
1. 03-11_17-48-14_extracted.log (1595 bytes)
[AMBER] Error while amber installation ankita mehta (Sat Mar 28 2020 - 10:12:56 PDT)
1. aa.png (128839 bytes)
Re: [AMBER] Abasic Site and Leap Polymerization Christina Bergonzo (Mon Mar 30 2020 - 08:07:58 PDT)
1. ABB.off (3489 bytes)
2. ABD.frcmod (187 bytes)
3. site.jpg (237016 bytes)

Last message date: Tue Mar 31 2020 - 16:00:02 PDT
Archived on: Mon Nov 25 2024 - 05:55:49 PST

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