Amber Archive Jun 2019: by messages with attachments

[AMBER] temperature not reaching target value in heating simulation Vaibhav Dixit (Sun Jun 02 2019 - 02:07:29 PDT)
1. heat2.png (25045 bytes)
Re: [AMBER] temperature not reaching target value in heating simulation Vaibhav Dixit (Mon Jun 03 2019 - 05:22:23 PDT)
1. heat1.e441491 (27907 bytes)
Re: [AMBER] temperature not reaching target value in heating simulation Vaibhav Dixit (Mon Jun 03 2019 - 11:27:12 PDT)
1. heat-serial.e442676 (899 bytes)
2. heat1.e441494 (27908 bytes)
3. heat4.out (6837 bytes)
4. heat3.in (483 bytes)
[AMBER] AMBER to RCSB pdb format for analysis in other tools like LeView Vaibhav Dixit (Tue Jun 04 2019 - 03:00:27 PDT)
1. image.png (118958 bytes)
Re: [AMBER] tleap ERROR Sadaf Rani (Tue Jun 04 2019 - 05:15:01 PDT)
1. BG6_amber.frcmod (67 bytes)
2. BG6_amber.mol2 (3250 bytes)
3. NAP_amber.frcmod (3374 bytes)
4. NAP.mol2 (7852 bytes)
5. NAP_amber.mol2 (8330 bytes)
6. BG6_1.mol2 (2961 bytes)
[AMBER] substitution of fluorine atom at o9 hydroxyl group sialic acid by using glycam force field -reg Jeyaram R A (Sun Jun 09 2019 - 22:30:32 PDT)
1. sialic_acid.pdb (2695 bytes)
[AMBER] Atom type for fluorine atom in glycam force field -reg. Jeyaram R A (Tue Jun 11 2019 - 05:39:49 PDT)
1. sialic_acid.pdb (2695 bytes)
[AMBER] Urea water mixture Nora Kremer (Tue Jun 11 2019 - 07:16:25 PDT)
1. urea_h (1811 bytes)
2. test.pdb (53464 bytes)
[AMBER] [Amber]-help-messy rst output using Sander Yuwei Song (Wed Jun 12 2019 - 11:13:26 PDT)
1. complex.out (85261 bytes)
[AMBER] Fw: Ligand Parameterization Hira Jabeen (Thu Jun 13 2019 - 05:53:14 PDT)
1. SFR.sdf (3228 bytes)
[AMBER] hbond somdev pahari (Thu Jun 13 2019 - 07:39:32 PDT)
1. aborted.txt (7649 bytes)
[AMBER] Problem with mol2 file generated by Antechamber Alessandro LANDI (Thu Jun 13 2019 - 07:51:10 PDT)
1. file.frcmod (2396 bytes)
2. file.mol2 (32385 bytes)
[AMBER] DBSCAN CLUSTERING STARTS AT 0 CLUSTERS dnlfr1994.gmail.com (Thu Jun 13 2019 - 10:04:33 PDT)
1. image001.png (40185 bytes)
[AMBER] Problems using stfcdiffusion Lucas Bandeira (Thu Jun 13 2019 - 11:27:07 PDT)
1. stfcdiffusion_Cs.in (189 bytes)
2. stfcdiffusion_Cs.out (1178 bytes)
[AMBER] parameterization of ligand+protein complex Hira Jabeen (Fri Jun 14 2019 - 09:09:45 PDT)
1. 5uj4.pdb (399897 bytes)
2. gol.mol2 (1479 bytes)
3. sfr.mol2 (3399 bytes)
[AMBER] Problems using stfcdiffusion Lucas Bandeira (Fri Jun 14 2019 - 11:22:19 PDT)
1. stfcdiffusion_Cs.out (3667 bytes)
2. stfcdiffusion_Cs.in (199 bytes)
[AMBER] incorrect dispersion term when radiopt=0: bug found and solved Thomas Gaillard (Mon Jun 17 2019 - 06:18:27 PDT)
1. pbsa_disp_radiopt0_bug.patch (1137 bytes)
2. Na_.top (7376 bytes)
3. Na_.crd (58 bytes)
[AMBER] Problem in creating topology and coordinate files Mustafa Alhaji Isa (Mon Jun 17 2019 - 22:45:20 PDT)
1. tslp.pdb (580477 bytes)
[AMBER] Fw: parameterization of ligand+protein complex Hira Jabeen (Tue Jun 18 2019 - 03:27:53 PDT)
1. 5uj4.pdb (399897 bytes)
2. gol.mol2 (1479 bytes)
3. sfr.mol2 (3399 bytes)
Re: [AMBER] Fw: parameterization of ligand+protein complex Hira Jabeen (Tue Jun 18 2019 - 09:13:58 PDT)
1. leap.log (26561 bytes)
2. gol.frcmod (62 bytes)
3. sfr.frcmod (823 bytes)
[AMBER] Adding disulphide bonds. Rui Chen (Tue Jun 18 2019 - 16:21:43 PDT)
1. 1fsc_HOH.in (612 bytes)
2. 1fsc_vmd_HOH.pdb (41084 bytes)
Re: [AMBER] AMBER to RCSB pdb format for analysis in other tools like LeView Vaibhav Dixit (Wed Jun 19 2019 - 06:11:48 PDT)
1. 1FKO_trunc_sus_A0.txt (871 bytes)
2. test-rcsb_A0.jpg (25446 bytes)
[AMBER] open valance problem Sadaf Rani (Sat Jun 22 2019 - 06:26:25 PDT)
1. NADP_noH.mol2 (6955 bytes)
[AMBER] sqm.pdb structure Sadaf Rani (Sat Jun 22 2019 - 07:24:59 PDT)
1. BG6_noH.mol2 (2653 bytes)
2. BG6_amber.mol2 (3042 bytes)
Re: [AMBER] sqm.pdb structure Sadaf Rani (Sat Jun 22 2019 - 08:35:50 PDT)
1. sqm_BG6.pdb (2291 bytes)
[AMBER] Issue installing Amber18 cuda Mahesh kumar Teli (Mon Jun 24 2019 - 02:09:31 PDT)
1. amber_error.txt (78702 bytes)
[AMBER] Pressure regulation with position restraints Franz Waibl (Mon Jun 24 2019 - 04:07:33 PDT)
1. box_volume_vs_time.png (90097 bytes)
Re: [AMBER] open valance problem Sadaf Rani (Mon Jun 24 2019 - 13:25:51 PDT)
1. NADP_1.pdb (5917 bytes)
Re: [AMBER] Issue installing Amber18 pbsa.cuda Mahesh kumar Teli (Mon Jun 24 2019 - 20:03:10 PDT)
1. amber_error1.txt (601628 bytes)
Re: [AMBER] open valance problem Sadaf Rani (Tue Jun 25 2019 - 07:34:51 PDT)
1. NADP_noH_av.pdb (12150 bytes)
Re: [AMBER] open valance problem Sadaf Rani (Tue Jun 25 2019 - 09:29:33 PDT)
1. 06-25_17:18:28.png (30609 bytes)
Re: [AMBER] Problem with mol2 file generated by Antechamber Alessandro LANDI (Thu Jun 27 2019 - 07:24:24 PDT)
1. file_noNa.frcmod (2278 bytes)
Re: [AMBER] stopping antechamber zmatovic.kg.ac.rs (Fri Jun 28 2019 - 12:41:51 PDT)
1. lig.mol2 (14241 bytes)

Amber Archive Jun 2019 by messages with attachments