Amber Archive Sep 2012 by messages with attachments

Re: [AMBER] ptraj: msd with diffusion command Bala subramanian (Sat Sep 01 2012 - 09:40:07 PDT)
1. MDA.png (18136 bytes)
2. f565.pdb (138 bytes)
3. reference.pdb (138 bytes)
4. watdif_x.xmgr (319 bytes)
5. watdif_y.xmgr (319 bytes)
6. watdif_z.xmgr (319 bytes)
[AMBER] parallel error with NVT file najmul arfin (Sun Sep 02 2012 - 01:51:21 PDT)
1. md1.in (356 bytes)
[AMBER] RESP charges for HHCC motif with Zn2+ ion Sangeetha B (Sun Sep 02 2012 - 06:23:20 PDT)
1. init_qin.dat (1055 bytes)
2. zn_nme_cap_esp_resp1.in (1630 bytes)
3. zn_nme_cap_esp_resp1_1.out (17657 bytes)
Re: [AMBER] CUDA-SPFP code and Hardware Version 1.3? Thomas Zeiser (Wed Sep 05 2012 - 13:25:24 PDT)
1. 09-05_14-52-53.diff (11998 bytes)
2. 09-05_14-52-53.log (20916 bytes)
Re: [AMBER] Adding a ROH to a oligosaccharide Pedro Swagger (Wed Sep 05 2012 - 13:36:57 PDT)
1. new.pdb (4966 bytes)
[AMBER] Using ff12SB force field in amber10 H. Chen (Sun Sep 09 2012 - 01:05:43 PDT)
1. topology_and_snapshots.rar (450391 bytes)
[AMBER] Help for RDF Yanyan ZHU (Mon Sep 10 2012 - 19:48:05 PDT)
1. rdf.docx (37352 bytes)
[AMBER] TI on Crambin, lacking bond in backbone Anna Bauß (Tue Sep 11 2012 - 02:18:24 PDT)
1. anna_bauss.vcf (348 bytes)
[AMBER] POL3 water model run error... 旭东肖 (Tue Sep 11 2012 - 03:34:32 PDT)
1. xxd_for_amber.tar.gz (113341 bytes)
[AMBER] Help for rdf Yanyan ZHU (Thu Sep 13 2012 - 20:23:19 PDT)
1. rdf1.pdf (39463 bytes)
[AMBER] query- antechamber Revthi Sanker (Fri Sep 14 2012 - 23:55:28 PDT)
1. gaussian.log (49927 bytes)
Re: [AMBER] query antechamber-reg Revthi Sanker (Fri Sep 14 2012 - 23:59:22 PDT)
1. gaussian.log (49927 bytes)
[AMBER] hello. 이상민 (Sun Sep 16 2012 - 21:02:17 PDT)
1. nmode_mmpbsa.in (199 bytes)
2. nmode_mmpbsa.inpcrd (1653 bytes)
3. nmode_mmpbsa.prmtop (22286 bytes)
4. nmode_nab.nab (2564 bytes)
5. nmode_nab.pdb (3650 bytes)
6. nmode_nab.prmtop (22286 bytes)
[AMBER] Antechamber: generating prep file Rajeswari A. (Mon Sep 17 2012 - 06:38:57 PDT)
1. ind3.log (61096 bytes)
[AMBER] help for rdf Yanyan ZHU (Mon Sep 17 2012 - 18:49:25 PDT)
1. rdf1.jpg (127485 bytes)
[AMBER] question about nmode 이상민 (Mon Sep 17 2012 - 23:00:47 PDT)
1. nmode_mmpbsa.in (199 bytes)
2. nmode_mmpbsa.inpcrd (1653 bytes)
3. nmode_mmpbsa.prmtop (22286 bytes)
4. nmode_nab.nab (2564 bytes)
5. nmode_nab.pdb (3650 bytes)
6. nmode_nab.prmtop (22286 bytes)
[AMBER] help for analysising my pictures Yanyan ZHU (Tue Sep 18 2012 - 00:43:51 PDT)
1. rdf1.jpg (127485 bytes)
Re: [AMBER] Periodicity error in parmtop file Shomesankar Bhunia (Tue Sep 18 2012 - 00:44:45 PDT)
1. ral.mol2 (6609 bytes)
2. ral_1.conf (1484 bytes)
Re: [AMBER] Antechamber Buback, Clayton (S&T-Student) (Tue Sep 18 2012 - 10:34:07 PDT)
1. Core.mol2 (7302 bytes)
[AMBER] TI input files: tleap adds unwanted hydrogen to a residue Kepa K. Burusco (Tue Sep 18 2012 - 11:51:30 PDT)
1. createFiles_stp01.txt (964 bytes)
2. createFiles_stp02.txt (1038 bytes)
3. info_tleap.GLA.med.txt (2516 bytes)
4. info_tleap.GLB.med.txt (2516 bytes)
[AMBER] rdf1.gif Yanyan ZHU (Tue Sep 18 2012 - 19:57:03 PDT)
1. rdf1.GIF (38157 bytes)
Re: [AMBER] can DSSP program give more information vaibhav dixit (Wed Sep 19 2012 - 23:14:48 PDT)
1. 2PRG_RGZ_VAC.pdb (303703 bytes)
2. hbavg_2PRG_MD.dat (40495 bytes)
Re: [AMBER] GAFFLipid Parameters Gould, Ian R (Fri Sep 14 2012 - 06:43:26 PDT)
1. sofmattercallum.pdf (812469 bytes)
[AMBER] Problem related to the RED Tools Sindrila Dutta banik (Wed Sep 26 2012 - 02:46:20 PDT)
1. punch2_m1 (1781 bytes)
2. punch1_m1 (1781 bytes)
3. output2_m1 (5416 bytes)
4. output1_m1 (5471 bytes)
Re: [AMBER] Antechamber Buback, Clayton (S&T-Student) (Wed Sep 26 2012 - 12:24:57 PDT)
1. Core.mol2 (7302 bytes)
[AMBER] Problem with PM6 in sqm Wei Lin (Thu Sep 27 2012 - 16:45:24 PDT)
1. mdin_sqm (310 bytes)
2. mdin_gau (392 bytes)
3. inpcrd (1226 bytes)
4. run (91 bytes)
5. prmtop (17399 bytes)
[AMBER] Molecular Dynamic production Anogna (Thu Sep 27 2012 - 23:29:42 PDT)
1. prod.in (199 bytes)
[AMBER] TI Softcore potentials and SHAKE Kepa K. Burusco (Fri Sep 28 2012 - 10:27:36 PDT)
1. glaWAT_stp1V0_l01.out.txt (7471 bytes)
2. glbWAT_stp1V1_l01.out.txt (7471 bytes)

Last message date: Sun Sep 30 2012 - 19:30:03 PDT
Archived on: Fri Apr 26 2024 - 05:54:42 PDT

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