Amber Archive Feb 2020 by messages with attachments

Re: [AMBER] sulfonamide parameters for correct geometry Junmei Wang (Mon Feb 03 2020 - 10:01:45 PST)
1. benzene_sulfonamide.ac (1952 bytes)
2. min_aligned.pdb (1343 bytes)
Re: [AMBER] [External] Re: Reading Frames from Trajectory File Catherine Jenifer Rajam Rajendran (Mon Feb 03 2020 - 11:03:48 PST)
1. skip.out1 (1845 bytes)
Re: [AMBER] .crd error MYRIAN TORRES RICO (Tue Feb 04 2020 - 04:57:09 PST)
1. rst7.jpg (630368 bytes)
[AMBER] Several FAILED tests for AmberTools19 and Amber18 zmatovic.kg.ac.rs (Wed Feb 05 2020 - 06:12:02 PST)
1. 02-03_18-34-51.log (31440 bytes)
2. 02-03_19-01-02.diff (110866 bytes)
3. 02-03_19-01-02.log (39298 bytes)
[AMBER] hiii ankita mehta (Wed Feb 05 2020 - 10:27:00 PST)
1. var_pdb.pdb (2448 bytes)
2. Screenshot_12.png (43466 bytes)
3. Screenshot_11.png (77081 bytes)
Re: [AMBER] sulfonamide parameters for correct geometry Annachiara TINIVELLA (Thu Feb 06 2020 - 08:17:36 PST)
1. outputJag.mol2 (2898 bytes)
2. outputJag.pdb (2134 bytes)
[AMBER] [LEaP] Atom does not have a type Johannes Kalliauer (Fri Feb 07 2020 - 06:09:29 PST)
1. run.sh (156 bytes)
2. input.leap (250 bytes)
3. 3hr2.pdb (350002 bytes)
[AMBER] TI on pmemd CUDA, AMBER18 Hosein Geraili Daronkola (Mon Feb 10 2020 - 02:13:48 PST)
1. dhdl_TI_ChargeAsn.pdf (15710 bytes)
2. O_MBAR_DechargeAsp.pdf (45821 bytes)
3. O_MBAR_ChargeAsn.pdf (46525 bytes)
4. dhdl_TI_DechargeAsp.pdf (16425 bytes)
[AMBER] how to treat capped non-standard AA residue Vaibhav Dixit (Tue Feb 11 2020 - 02:07:04 PST)
1. 06-1r.frcmod (13537 bytes)
2. 06-1r.mol2 (9977 bytes)
3. test2.pdb (316206 bytes)
[AMBER] tLEaP error of the N-terminal OXT atom Wei-Tse Hsu (Sat Feb 15 2020 - 11:55:04 PST)
1. image.png (23755 bytes)
[AMBER] no bonds formed between AA and non-standard residue Vaibhav Dixit (Sun Feb 16 2020 - 03:30:32 PST)
1. test7.pdb (315661 bytes)
2. uncap1.frcmod (6200 bytes)
3. uncap1.mol2 (8042 bytes)
Re: [AMBER] no bonds formed between AA and non-standard residue Vaibhav Dixit (Sun Feb 16 2020 - 18:25:51 PST)
1. min.png (208509 bytes)
[AMBER] MMPBSA.py error Sruthi Sudhakar (Mon Feb 17 2020 - 02:57:54 PST)
1. mmpbsa.in (241 bytes)
Re: [AMBER] no bonds formed between AA and non-standard residue Vaibhav Dixit (Mon Feb 17 2020 - 01:41:12 PST)
1. leap.log (11273 bytes)
[AMBER] install amber Nicolas Feldman (Mon Feb 17 2020 - 08:07:51 PST)
1. cleaning_src_directories.png (97074 bytes)
[AMBER] amber18 tests failures Antonio Bauzá Riera (Wed Feb 19 2020 - 07:46:51 PST)
1. 02-19_16-19-35.diff (85480 bytes)
2. 02-19_16-19-35.log (60229 bytes)
[AMBER] facing problem in installation of Amber18 with CUDA support SATYAJIT KHATUA (Wed Feb 19 2020 - 22:56:48 PST)
1. simulationConst.h (320 bytes)
Re: [AMBER] no bonds formed between AA and non-standard residue Vaibhav Dixit (Thu Feb 20 2020 - 17:48:32 PST)
1. image.png (207088 bytes)
2. image.png (236830 bytes)
Re: [AMBER] no bonds formed between AA and non-standard residue Vaibhav Dixit (Thu Feb 20 2020 - 18:15:29 PST)
1. image.png (207088 bytes)
2. image.png (236830 bytes)
[AMBER] MCPB.py with mixed valence di-iron system? Gustavo Seabra (Thu Feb 27 2020 - 14:11:06 PST)
1. mcpb_err.txt (7402 bytes)

Last message date: Sat Feb 29 2020 - 12:30:02 PST
Archived on: Fri Dec 20 2024 - 05:55:57 PST

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