Amber Archive Aug 2017: by messages with attachments

Re: [AMBER] string methods in AMBER16 Chunli Yan (Tue Aug 01 2017 - 13:07:35 PDT)
1. md01.in (433 bytes)
2. cv.1 (145 bytes)
[AMBER] Number of triangulated 3-point waters found: 0 Shilpa Gupta (Thu Aug 03 2017 - 03:50:59 PDT)
1. output.pdf (30106 bytes)
[AMBER] results for string methods Chunli Yan (Mon Aug 07 2017 - 18:49:45 PDT)
1. 08-07_21.47.58.png (226402 bytes)
Re: [AMBER] gaff2 atom type (cs) is not in PARMCHK.DAT Scott Brozell (Tue Aug 08 2017 - 14:22:54 PDT)
1. Structure3D.frcmod (3803 bytes)
[AMBER] Error in leap on using divalent ion Chayya Bhargac (Wed Aug 09 2017 - 06:23:42 PDT)
1. MG.frcmod (41 bytes)
2. test_leap.in (535 bytes)
3. MG.frcmod (41 bytes)
4. test_leap.in (535 bytes)
5. MG.dat (1045 bytes)
6. Ca.dat (1045 bytes)
[AMBER] Install in gpu AMBER14 for high performance computer Saikat Pal (Thu Aug 17 2017 - 08:46:02 PDT)
1. 08-17_20-44-01.png (384488 bytes)
Re: [AMBER] calculate PMF in string methods Chunli Yan (Thu Aug 17 2017 - 19:22:45 PDT)
1. torsion.jpg (66274 bytes)
2. torsion.jpg (102952 bytes)
3. string.png (81380 bytes)
Re: [AMBER] Thermodynamic Integration using PMEMD Roma Mukhopadhyay (Fri Aug 18 2017 - 06:34:32 PDT)
1. molh.inpcrd (1845 bytes)
2. molh.prmtop (32941 bytes)
3. molx.pdb (3721 bytes)
4. new.leap (233 bytes)
Re: [AMBER] Thermodynamic Integration using PMEMD Roma Mukhopadhyay (Fri Aug 18 2017 - 09:13:46 PDT)
1. pkarep.zip (8771 bytes)
[AMBER] RESP calculation in MCPBpy Lizelle Lubbe (Fri Aug 25 2017 - 03:39:18 PDT)
1. ZN1.mol2 (263 bytes)
2. WT1.mol2 (455 bytes)
3. resp2.pch (6184 bytes)
4. resp2_calc.esp (209431 bytes)
5. resp2.out (23135 bytes)
6. resp2.chg (993 bytes)
7. HD2.mol2 (1818 bytes)
8. HD1.mol2 (1818 bytes)
9. GU1.mol2 (1607 bytes)
10. resp1_calc.esp (209431 bytes)
11. resp2.in (2153 bytes)
12. resp1.pch (6184 bytes)
13. resp1.out (23225 bytes)
14. resp1.chg (993 bytes)
15. resp1.in (2127 bytes)
[AMBER] wrong ligand geometry Thomas Evangelidis (Sat Aug 26 2017 - 12:41:33 PDT)
1. wrong_geometry.png (245028 bytes)
Re: [AMBER] Error while running antechamber for modified amino acid residue Rajarshi Roy (Sun Aug 27 2017 - 09:22:33 PDT)
1. CRO.cif (8998 bytes)
[AMBER] Segmentation error in minimization Lizelle Lubbe (Mon Aug 28 2017 - 05:49:06 PDT)
1. min_error (1137 bytes)
2. min3.in (280 bytes)
3. min3.out (89938 bytes)
Re: [AMBER] Hybridization problem in Amber Julian Stys (Mon Aug 28 2017 - 15:11:08 PDT)
1. 08-28_at_3.47.22_PM.png (48538 bytes)
Re: [AMBER] How to add the charged sphere (ion) with arbitrary charge to my PDB file. Parviz Seifpanahi Shabane (Thu Aug 31 2017 - 10:11:49 PDT)
1. TMN.png (3324 bytes)

Amber Archive Aug 2017 by messages with attachments