Amber Archive Aug 2018 by messages with attachments

[AMBER] Fwd: Issue with imploding structure during heating and equilibration David Stevens (Wed Aug 01 2018 - 10:45:46 PDT)
1. 07-25_11.33.44.png (60921 bytes)
2. 07-25_11.31.55.png (80263 bytes)
3. 07-25_11.32.20.png (77152 bytes)
4. 07-25_11.40.15.png (30401 bytes)
[AMBER] Error for Amber16 and Amber tools 17 installation maryam azimzadehirani (Fri Aug 03 2018 - 05:16:11 PDT)
1. Error.txt (50884 bytes)
[AMBER] Change in boxlength during memebrane simulation somdev pahari (Fri Aug 03 2018 - 07:59:19 PDT)
1. snap.pdf (78453 bytes)
2. box_length.jpg (37632 bytes)
Re: [AMBER] Parameters for non-standard residues Zhonghua Xia (Mon Aug 06 2018 - 04:47:52 PDT)
1. smime.p7s (1495 bytes)
Re: [AMBER] .frcmod_file_generation Antonio Amber Carlesso (Tue Aug 07 2018 - 22:59:40 PDT)
1. rna.PNG (24927 bytes)
[AMBER] checkmolecule.c John L. Kulp, Jr. (Wed Aug 08 2018 - 06:10:13 PDT)
1. checkmolecule.c (17314 bytes)
[AMBER] Erreneous PMF Stefan Ivanov (Wed Aug 08 2018 - 23:21:14 PDT)
1. pmf.png (11106 bytes)
2. x.rst7 (779 bytes)
3. z.parm7 (16639 bytes)
[AMBER] mistake in source-code in egb.F90 Johannes Kalliauer (Thu Aug 09 2018 - 04:15:45 PDT)
1. egb.F90 (85157 bytes)
2. egb.F90.pdf (140312 bytes)
3. SourceCode_Amber16.pdf (152111 bytes)
Re: [AMBER] Erreneous PMF Stefan Ivanov (Thu Aug 09 2018 - 18:31:15 PDT)
1. pmf2.png (11026 bytes)
2. z.parm7 (16639 bytes)
3. x.rst7 (779 bytes)
4. input_generator.sh (894 bytes)
5. commands.sh (25503 bytes)
[AMBER] How to use filter command to find the structures of high density during PCA analysis? Markowska (Fri Aug 10 2018 - 05:08:41 PDT)
1. PC1vsPC2_c0.png (29514 bytes)
[AMBER] implement_revised_RNA_force_field_general rule? Antonio Amber Carlesso (Thu Aug 16 2018 - 01:57:47 PDT)
1. image.png (168483 bytes)
2. image.png (154771 bytes)
3. image.png (206073 bytes)
Re: [AMBER] checkmolecule.c John Kulp (Thu Aug 16 2018 - 05:35:27 PDT)
1. ac_bondtypes.ac (2023 bytes)
2. bfd_atoms.ac (2041 bytes)
[AMBER] AM1BCC challenge with atomic types recognition and convertion of .ac to .mol2 Sergey Samsonov (Thu Aug 16 2018 - 08:05:29 PDT)
1. am1bcc_berenil.mol2 (4229 bytes)
2. babel_berenil.mol2 (3951 bytes)
3. babel_berenil.pdb (5915 bytes)
4. probably_correct.ac (4337 bytes)
Re: [AMBER] The instructions of the .out file Zhonghua Xia (Fri Aug 17 2018 - 06:19:34 PDT)
1. smime.p7s (1495 bytes)
[AMBER] Need help regarding calculation of Coordination number from RDF Profile Bharat Manna (Fri Aug 24 2018 - 03:21:02 PDT)
1. rdf_input.txt (3300 bytes)
[AMBER] Thank you Tai Tze Hong (Fri Aug 24 2018 - 19:10:56 PDT)
1. HPCD.pdb (17561 bytes)
[AMBER] A part of protein molecule moving out of the box Sanjib Paul (Sun Aug 26 2018 - 23:16:36 PDT)
1. snap.jpeg (367284 bytes)
Re: [AMBER] Thank you elias_christoforides (Mon Aug 27 2018 - 06:57:28 PDT)
1. com.pdb (16941 bytes)
[AMBER] How to use cpptraj to wrap protein Yang, Tianyi (Wed Aug 29 2018 - 17:12:19 PDT)
1. after.png (683479 bytes)
Re: [AMBER] Heating error in complex sandeep singh (Thu Aug 30 2018 - 13:37:23 PDT)
1. heat.out (9266 bytes)
Re: [AMBER] How to use cpptraj to wrap protein Yang, Tianyi (Fri Aug 31 2018 - 13:04:10 PDT)
1. cpptarj.png (643003 bytes)

Last message date: Fri Aug 31 2018 - 17:00:02 PDT
Archived on: Sun Nov 24 2024 - 05:55:55 PST

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