Amber Archive Mar 2015 by messages with attachments

[AMBER] Error while creating force field Swithin Hanosh (Mon Mar 02 2015 - 02:21:07 PST)
1. sam.mol2 (4939 bytes)
2. in-h.pdb (6499 bytes)
3. sqm.out (13011 bytes)
Re: [AMBER] Cofactor parametrization Francesca Tessaro (Mon Mar 02 2015 - 03:08:08 PST)
1. NADP_.mol2 (9298 bytes)
[AMBER] ERROR no map function for FE2 FE2 :data= 91 CYS SG 170 FE2 FE2 2.4 Pragya Priyadarshini (Mon Mar 02 2015 - 03:37:48 PST)
1. t_new.pdb__size_222963 (222963 bytes)
Re: [AMBER] tleap box neutralization Jason Swails (Mon Mar 02 2015 - 05:55:57 PST)
1. leap.patch.bz2 (78736 bytes)
[AMBER] Problem with Creating Unit for Non-standard N-Cap Residue Huang Tao (Mon Mar 02 2015 - 17:33:51 PST)
1. nonstand_cap_residue.png (1818 bytes)
[AMBER] Error while creating force field Swithin Hanosh (Tue Mar 03 2015 - 03:35:37 PST)
1. sqm.out (796 bytes)
[AMBER] Tutorial B0 Sanmeet Chahal (Tue Mar 03 2015 - 15:05:57 PST)
1. molecule.png (114699 bytes)
2. on-central-carb-removed.png (50432 bytes)
3. on-one-side-removed.png (166669 bytes)
Re: [AMBER] Tutorial B0 Sanmeet Chahal (Wed Mar 04 2015 - 08:34:51 PST)
1. inpcrd3 (56594 bytes)
2. prmtop3 (259202 bytes)
3. inpcrd4 (52725 bytes)
4. prmtop4 (240761 bytes)
Re: [AMBER] Tutorial B0 Sanmeet Chahal (Wed Mar 04 2015 - 08:44:43 PST)
1. 01_Min.in (112 bytes)
2. 02_Heat.in (379 bytes)
3. 03_Prod.in (201 bytes)
4. 01_Min.mdinfo (384 bytes)
5. 01_Min.mdinfo (384 bytes)
6. inpcrd (71737 bytes)
7. prmtop (328071 bytes)
Re: [AMBER] Tutorial B0 Sanmeet Chahal (Wed Mar 04 2015 - 08:47:02 PST)
1. inpcrd2 (71413 bytes)
2. prmtop2 (325674 bytes)
3. inpcrd3 (56594 bytes)
Re: [AMBER] Tutorial B0 Sanmeet Chahal (Wed Mar 04 2015 - 08:49:48 PST)
1. prmtop3 (259202 bytes)
2. inpcrd4 (52725 bytes)
3. prmtop4 (240761 bytes)
4. 01_Min.out (11764 bytes)
Re: [AMBER] Tutorial B0 Sanmeet Chahal (Wed Mar 04 2015 - 13:29:24 PST)
1. 01_Min.in (112 bytes)
2. 02_Heat.in (379 bytes)
3. 03_Prod.in (201 bytes)
4. inpcrd (71737 bytes)
5. prmtop (328071 bytes)
6. 01_Min.mdinfo (384 bytes)
7. 01_Min.out (11764 bytes)
Re: [AMBER] Tutorial B0 Sanmeet Chahal (Wed Mar 04 2015 - 13:32:28 PST)
1. inpcrd2 (71413 bytes)
2. prmtop2 (325674 bytes)
3. inpcrd3 (56594 bytes)
[AMBER] mm-pbsa & extra-point Emilio Angelina (Thu Mar 05 2015 - 13:42:19 PST)
1. FINAL_RESULTS_MMPBSA.dat (5968 bytes)
Re: [AMBER] Problem with Creating Unit for Non-standard N-Cap Residue Huang Tao (Fri Mar 06 2015 - 00:26:24 PST)
1. L2T.png (5079 bytes)
[AMBER] Reading two units from same .mol2 file Sanmeet Chahal (Fri Mar 06 2015 - 17:16:10 PST)
1. new3.MOL2 (1432 bytes)
2. prmtop (12238 bytes)
Re: [AMBER] Reg: Query on distance restrain and its effect on conformation Jason Swails (Wed Mar 11 2015 - 08:41:12 PDT)
1. 2L9EVX (4753 bytes)
Re: [AMBER] Errors in AmberTools14 Jonathan Gough (Fri Mar 13 2015 - 10:54:38 PDT)
1. 03-12_13-09-56.diff (21939 bytes)
[AMBER] Fwd: [Fwd: Purchase of Amber-14] N.R. Jena (Sat Mar 14 2015 - 12:14:23 PDT)
1. 14_Transaction.pdf (326652 bytes)
[AMBER] facing problem to create a prmtop file for oxonium cation Sohag Biswas (Mon Mar 16 2015 - 02:59:06 PDT)
1. eth.pdb (1482 bytes)
Re: [AMBER] finding angles Vijay Achari (Mon Mar 16 2015 - 19:22:09 PDT)
1. angle-calculation-test.sh (497 bytes)
[AMBER] Fwd: CPPTRAJ trajout results "weird" pdb Chinh Su Tran To (Wed Mar 18 2015 - 20:40:59 PDT)
1. weirdPDB.png (714627 bytes)
[AMBER] Problem with heating lipid bilayer in amber 12 Chris Gaughan (Thu Mar 19 2015 - 14:31:26 PDT)
1. 02_heat.out (8404 bytes)
Re: [AMBER] Non-Standard Residue / Non-Integer Charge Maral Aminpour (Fri Mar 20 2015 - 19:27:15 PDT)
1. Data.zip (98750 bytes)
[AMBER] "Error opening unit 30: File "inpcrd" is missing or unreadable" on Tutorial A15 christian.yongky.ui.ac.id (Sun Mar 22 2015 - 23:47:08 PDT)
1. ionicbox.inpcrd (145509 bytes)
2. leap.log (445400 bytes)
3. runmin.sh (270 bytes)
Re: [AMBER] "Error opening unit 30: File "inpcrd" is missing or unreadable" on Tutorial A15 christian.yongky.ui.ac.id (Mon Mar 23 2015 - 03:24:20 PDT)
1. mdin (74 bytes)
2. min1.o (6386 bytes)
3. min1.nc (81 bytes)
4. mdinfo (384 bytes)
5. runmin.sh (220 bytes)
[AMBER] combinatorial library Hector A. Baldoni (Thu Mar 26 2015 - 17:22:05 PDT)
1. files.tar.gz (2160 bytes)
[AMBER] REGARDING ATOM TYPE ERROR Swithin Hanosh (Sat Mar 28 2015 - 05:01:43 PDT)
1. SAMcm.zip (17477 bytes)
[AMBER] Problems with Amber installation Pinchas Aped (Tue Mar 31 2015 - 06:45:53 PDT)
1. amber14_configure_mpi.log (3401 bytes)

Last message date: Wed Apr 01 2015 - 00:00:03 PDT
Archived on: Wed Dec 25 2024 - 05:55:10 PST

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