Amber Archive Apr 2015 by messages with attachments

[AMBER] 发送给你的文件 chemjxn (Tue Mar 31 2015 - 23:29:00 PDT)
1. 1amp_oh.leaprc (657 bytes)
2. 1amp_oh_tleap.out (683260 bytes)
[AMBER] MCPB subprogram problem chemjxn (Tue Mar 31 2015 - 23:41:50 PDT)
1. 1amp_oh.leaprc (657 bytes)
2. 1amp_oh_tleap.out (683260 bytes)
3. ATT00004.txt (134 bytes)
[AMBER] Error while running MMPBSA Shreeramesh (Thu Apr 02 2015 - 00:00:59 PDT)
1. mmpbsa.zip (462950 bytes)
Re: [AMBER] Error while running MMPBSA Shreeramesh (Thu Apr 02 2015 - 07:47:42 PDT)
1. _MMPBSA_complex_gb.mdout.0 (5811 bytes)
[AMBER] FW: amber14 errors IBRAHIM M ABDELRADY (Thu Apr 02 2015 - 11:16:28 PDT)
1. ptraj_compile_error.txt (8015 bytes)
2. ambercompile.log (223547 bytes)
Re: [AMBER] Error while running MMPBSA Shreeramesh (Fri Apr 03 2015 - 02:24:10 PDT)
1. mdread.F90 (136864 bytes)
[AMBER] MMPBSA.py.MPI Installation Failure Laura Tociu (Sat Apr 04 2015 - 11:34:04 PDT)
1. mpi4py_install.log (6381 bytes)
Re: [AMBER] Question Regarding reduce function of Antechamber Ziheng Wang (Sun Apr 05 2015 - 12:07:47 PDT)
1. sustiva_reduced.pdb (1799 bytes)
[AMBER] REGARDING ATOM TYPE ERROR Swithin Hanosh (Mon Apr 06 2015 - 22:17:24 PDT)
1. hArsM.zip (83096 bytes)
2. sam.lib.docx (6557 bytes)
[AMBER] error generating P450 prmtop incrd file Vaibhav Dixit (Tue Apr 07 2015 - 04:54:14 PDT)
1. 1W0E_prepared.pdb (638788 bytes)
2. HEM_HS.frcmod (1917 bytes)
3. HEM_pentacoordinateHS.mol2 (8013 bytes)
Re: [AMBER] AHTECHAMBER - G09 Ayesha Fatima (Wed Apr 08 2015 - 07:33:47 PDT)
1. Preparation_of_ligand_with_RESP_charges_using_Gaussian.pptx (59553 bytes)
[AMBER] MMBP(GB)SA free energy decomposition error: sander failed with prmtop maryam azimzadehirani (Wed Apr 08 2015 - 20:40:05 PDT)
1. structure_no_wat.parm7 (413319 bytes)
2. mmpbsa.in (389 bytes)
[AMBER] intercalations Arjun Sharma (Fri Apr 10 2015 - 16:36:30 PDT)
1. pic.tga (111946 bytes)
[AMBER] Error Adnan Gulzar (Sat Apr 11 2015 - 15:18:53 PDT)
1. PLP.gau (2416 bytes)
2. PLP.pdb (3887 bytes)
3. PLP_sqm.out (3686 bytes)
4. PLP_1.gau (3432 bytes)
5. PLP_1.mol2 (6926 bytes)
6. PLP_1.pdb (5833 bytes)
7. PLP_1_sqm.out (796 bytes)
[AMBER] REGARDING ENERGY MINIMISATION Swithin Hanosh (Tue Apr 14 2015 - 04:42:26 PDT)
1. min1.out (8547 bytes)
[AMBER] REGARDING ENERGY MINIMISATION Swithin Hanosh (Wed Apr 15 2015 - 05:32:32 PDT)
1. min1.out (11542 bytes)
Re: [AMBER] NMode Analysis Using Truncated Trajectory Laura Tociu (Thu Apr 16 2015 - 20:52:06 PDT)
1. mm_pbsa_createinput.pm (32064 bytes)
[AMBER] Carbon nanotube simulation Pierre Bertin (Thu Apr 16 2015 - 23:51:08 PDT)
1. CNT_endsimul.png (116625 bytes)
[AMBER] Problem regarding PMF curve Shubhadip Das (Sun Apr 19 2015 - 08:49:15 PDT)
1. pmf.pdf (3675 bytes)
[AMBER] mcpb problem chemjxn (Wed Apr 22 2015 - 21:12:08 PDT)
1. 1amp_oh.leaprc (657 bytes)
2. 1amp_oh_tleap.out (683260 bytes)
Re: [AMBER] MMBP(GB)SA free energy decomposition error: sander failed with prmtop maryam azimzadehirani (Thu Apr 23 2015 - 00:22:27 PDT)
1. FINAL_DECOMP_MMPBSA.dat (21419 bytes)
Re: [AMBER] Error: Unable to run flex; this is required for NAB and antechamber Please check your PATH, or install the program Jason Swails (Thu Apr 23 2015 - 12:19:45 PDT)
1. parm_setup.py (36584 bytes)
[AMBER] Questions about T-REMD lipengfei (Mon Apr 27 2015 - 05:30:45 PDT)
1. 04-27_19_04_54.png (60944 bytes)
[AMBER] Antechamber Algorithm for Atom Type Robert Molt (Mon Apr 27 2015 - 18:19:57 PDT)
1. molecule.jpg (376591 bytes)
[AMBER] STRUCTURAL CHANGE AFTER HEATING Swithin Hanosh (Thu Apr 30 2015 - 05:06:44 PDT)
1. SAM_comparison.png (162782 bytes)
2. sam1.mol2 (5093 bytes)
3. sam1.frcmod (805 bytes)
4. 2heat.out (80619 bytes)

Last message date: Thu Apr 30 2015 - 16:00:02 PDT
Archived on: Fri Dec 20 2024 - 05:55:12 PST

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