Amber Archive Aug 2013 by messages with attachments

[AMBER] Fw: Re: MMPBSA problem 372133720 (Wed Jul 31 2013 - 19:01:51 PDT)
1. _mdread.f (159501 bytes)
2. mdread.f (114144 bytes)
3. amber_MMPBSA.sh (1077 bytes)
4. MMPBSA_decomp.in (227 bytes)
5. md1.log (7903 bytes)
6. _mdread.LES.f (163205 bytes)
Re: [AMBER] Problems with NAB Alexander Button (Wed Jul 31 2013 - 20:27:56 PDT)
1. amber.zip (20975 bytes)
[AMBER] MMPBSA problem 372133720 (Thu Aug 01 2013 - 03:54:37 PDT)
1. _mdread.f (159501 bytes)
2. mdread.f (114144 bytes)
3. amber_MMPBSA.sh (1077 bytes)
4. MMPBSA_decomp.in (227 bytes)
5. md1.log (7903 bytes)
6. _mdread.LES.f (163205 bytes)
[AMBER] radii effect on PB_cavity surften_cavity offset berin karaman (Thu Aug 01 2013 - 06:54:15 PDT)
1. parameters.odt (174530 bytes)
2. parameters.pdf (99462 bytes)
Re: [AMBER] Charmmgui pdb file error Giorgos Lamprinidis (Thu Aug 01 2013 - 07:49:38 PDT)
1. amber.tar.gz (197587 bytes)
[AMBER] R.E.D server output files Ayesha Fatima (Tue Aug 06 2013 - 19:16:09 PDT)
1. zer31.p2n (4094 bytes)
2. zer31.mol2 (4137 bytes)
Re: [AMBER] BOND, ANGLE and TORSION energies discrepancy between amber and gromacs Golshan Hejazi (Fri Aug 09 2013 - 10:02:18 PDT)
1. ALA.gro (545 bytes)
2. ALA.top (4745 bytes)
3. amber.coor (376 bytes)
4. amber.top (12314 bytes)
5. test (418 bytes)
Re: [AMBER] Magnesium charges using leaprc.ff99SB - metals move away Mallipeddi, Premalatha (Wed Aug 14 2013 - 08:38:18 PDT)
1. oledata.mso (1819 bytes)
2. image003.emz (3896 bytes)
3. image004.png (1819 bytes)
Re: [AMBER] Problem with Amber tutorial A.15 Moacyr Comar (Wed Aug 14 2013 - 11:08:36 PDT)
1. solv.top.gz (106331 bytes)
2. solv.crd.gz (33375 bytes)
[AMBER] Often, Amber BMT doesn't finish properly with Malti-GPGPU. (pmemd.cuda.MPI problem) Nakashima, Yoshihisa (Fri Aug 16 2013 - 01:16:24 PDT)
1. Amber_4GPU_log.zip (20431 bytes)
2. Amber_4GPU_log.zip (10609 bytes)
[AMBER] no CMAP information written out by chamber ymei (Fri Aug 16 2013 - 10:47:53 PDT)
1. chamber.tar.bz2__size_40672 (40672 bytes)
Re: [AMBER] Cpu busy looping? Ross Walker (Tue Aug 20 2013 - 13:07:45 PDT)
1. machine_spec.pdf (163558 bytes)
2. Flyer_for_Starter_2U_4xGPU_System_for_Your_Carrying_Case.pdf (506177 bytes)
[AMBER] mdout2pymbar.pl Use of uninitialized value in array element psu4.uic.edu (Thu Aug 22 2013 - 15:45:09 PDT)
1. AAA_135_RESP_12A_prod_v0_l9_20_FEP.out (310640 bytes)
[AMBER] Problematic structure after minimization on GPU Jan-Philip Gehrcke (Mon Aug 26 2013 - 04:52:27 PDT)
1. repro.sh (2132 bytes)
[AMBER] AmberTools13 test: possible FAILURE Xioling Chuang (Mon Aug 26 2013 - 19:29:59 PDT)
1. FINAL_RESULTS_MMPBSA_2.dat.dif.gz (1156 bytes)
[AMBER] setting up a covalently bonded ligand to enzyme with tleap Mahmoud Soliman (Wed Aug 28 2013 - 00:46:30 PDT)
1. complex.pdb (181712 bytes)
Re: [AMBER] mmP(G)BSA correlation time psu4.uic.edu (Thu Aug 29 2013 - 20:19:56 PDT)
1. python_API_output.zip (248435 bytes)

Last message date: Sat Aug 31 2013 - 20:30:02 PDT
Archived on: Fri Apr 19 2024 - 05:54:36 PDT

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