Amber Archive Jun 2013 by messages with attachments

Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? ET (Sat Jun 01 2013 - 11:26:16 PDT)
1. 00_TeaNCake_try_01_GB_out_plus_diff_Files.tar.gz (127684 bytes)
2. 00_TeaNCake_try_01_PME_out_plus_diff_Files.tar.gz (188831 bytes)
3. 01_008_try_01_GB_out_plus_diff_Files.tar.gz (162311 bytes)
4. 01_008_try_01_PME_out_plus_diff_Files.tar.gz (138967 bytes)
Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? Marek Maly (Sat Jun 01 2013 - 14:13:07 PDT)
1. install_Amber12.sh (963 bytes)
Re: [AMBER] Which is the best compiler to use with AMBER 12 Jan-Philip Gehrcke (Sun Jun 02 2013 - 02:58:26 PDT)
1. amber11_intel_vs_gnu.png (73491 bytes)
Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? ET (Sun Jun 02 2013 - 06:29:49 PDT)
1. 01_008_try_03_PME_out_plus_diff_Files.tar.gz (192431 bytes)
2. 01_TeaNCake_try_03_PME_out_plus_diff_Files.tar.gz (181423 bytes)
3. damn-gaps.png (151313 bytes)
Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? Marek Maly (Sun Jun 02 2013 - 07:58:38 PDT)
1. table_100K_driver319.23_bugfix18 (1421 bytes)
Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? ET (Sun Jun 02 2013 - 10:53:21 PDT)
1. 00_TeaNCake_long_try_04_GB_out_plus_diff_Files.tar.gz (361462 bytes)
2. 01_008_long_try_04_GB_out_plus_diff_Files.tar.gz (361449 bytes)
Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? ET (Sun Jun 02 2013 - 11:02:21 PDT)
1. 00_TeaNCake_long_try_04_GB_out_plus_diff_Files.zip (109771 bytes)
2. 01_008_long_try_04_GB_out_plus_diff_Files.zip (109720 bytes)
[AMBER] ptraj error parul sharma (Mon Jun 03 2013 - 04:14:13 PDT)
1. cath.pdb (53867 bytes)
2. cathpdb.prmtop (263604 bytes)
3. ptraj.in (6182 bytes)
4. ptraj.out (16885 bytes)
Re: [AMBER] AmberTools 13 igb=8 CalcError: $AMBERHOME/bin/mmpbsa_py_energy failed with prmtop complex.top! Hai Nguyen (Tue Jun 04 2013 - 17:26:49 PDT)
1. igb.8.dat (4036 bytes)
[AMBER] error energy minimization with restrain Rasha Alqus (Wed Jun 05 2013 - 11:59:22 PDT)
1. 1_sh.e202717 (16895 bytes)
2. 2.sh.o202717 (765 bytes)
[AMBER] CUDA install fails due to undefined netcdf definitions Matthew Wampole (Thu Jun 06 2013 - 08:28:29 PDT)
1. install.log (34784 bytes)
Re: [AMBER] Calculating harmonic potential in umbrella sampling Sajeewa Pemasinghe (Mon Jun 10 2013 - 21:11:15 PDT)
1. wham1.png (5160 bytes)
Re: [AMBER] CUDA install fails due to undefined netcdf definitions Matthew Wampole (Tue Jun 11 2013 - 13:25:17 PDT)
1. libnetcdf.log (9588 bytes)
[AMBER] Running MD NPT Ensemble Error Benjamin Grant (Wed Jun 12 2013 - 14:07:58 PDT)
1. md.out.txt (159885 bytes)
2. npt.txt (282 bytes)
Re: [AMBER] amber2accent perl script Jason Swails (Thu Jun 13 2013 - 13:56:18 PDT)
1. amber2accent.pl (15148 bytes)
[AMBER] Graphene topology from GAFF dpiraner.caltech.edu (Mon Jun 17 2013 - 11:48:48 PDT)
1. graphene.pdb (37563 bytes)
[AMBER] qmcut in QM/MM simulation with AMBER/GAUSSIAN Tamara Meirelles (Mon Jun 17 2013 - 17:39:00 PDT)
1. 0.out (10539 bytes)
Re: [AMBER] Graphene topology from GAFF Hector A. Baldoni (Tue Jun 18 2013 - 14:40:11 PDT)
1. graphene.tar.gz (48125 bytes)
[AMBER] GAFF atom type for CO Krisztina Feher (Thu Jun 20 2013 - 11:16:17 PDT)
1. dap_.pdb (2794 bytes)
Re: [AMBER] GAFF atom type for CO Krisztina Feher (Fri Jun 21 2013 - 01:59:41 PDT)
1. dap_-dal_dsv.pdb (5529 bytes)
2. dap_-dal-nonOpt.pdb (5529 bytes)
Re: [AMBER] Unknown redidue when using tleap Dongshan Wei (Fri Jun 21 2013 - 02:12:08 PDT)
1. 2TRX.pdb (196749 bytes)
Re: [AMBER] GAFF atom type for CO Krisztina Feher (Sat Jun 22 2013 - 07:03:42 PDT)
1. dap_-dal_dsv.pdb (5539 bytes)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions Kamali Sripathi (Sun Jun 23 2013 - 16:10:40 PDT)
1. RAP_N9Methyl_from_Ante_RED_4.com.txt (751 bytes)
2. RAP_N9Methyl_from_Ante_RED_4.out (165050 bytes)
3. RAP_N9methyl_from_GaussView_4.gjf (1831 bytes)
Re: [AMBER] Anyone running machines with Quad GPU setups Kevin Hauser (Mon Jun 24 2013 - 16:40:03 PDT)
1. -Anyone_running_machines_with_Quad_GPU_setups.pdf (603270 bytes)
Re: [AMBER] Anyone running machines with Quad GPU setups Ross Walker (Mon Jun 24 2013 - 16:58:57 PDT)
1. 4GPU_machine_spec.pdf (163306 bytes)
Re: [AMBER] Actual Intel Compiler Version Used Ismail, Mohd F. (Mon Jun 24 2013 - 17:28:35 PDT)
1. apo (423318 bytes)
2. config.h (4614 bytes)
[AMBER] Per-residue decomposition output file format looks unfriendly Mahmoud Soliman (Tue Jun 25 2013 - 01:53:51 PDT)
1. FINAL_DECOMP_MMPBSA.dat (2272 bytes)
[AMBER] TI calculations and autocorrelation time Kepa K. Burusco (Thu Jun 27 2013 - 07:56:48 PDT)
1. autocorrelationTimes.txt (2188 bytes)
[AMBER] 回复：Re: FATAL: Atom XXX does not have a type sunyeping.aliyun.com (Fri Jun 28 2013 - 09:05:16 PDT)
1. files.tar.bz2 (118975 bytes)

Last message date: Sun Jun 30 2013 - 08:00:02 PDT
Archived on: Sun Dec 22 2024 - 05:54:48 PST

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