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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| 0001.fix_solute_1_12..> | 01-Jul-2004 16:07 | 1.4K | |
| 0002.RE:_fix_solute_..> | 01-Jul-2004 16:14 | 2.6K | |
| 0003.fix_solute_0_heavy | 01-Jul-2004 17:32 | 2.8K | |
| 0004.error:_lbbl_inc..> | 01-Jul-2004 19:15 | 1.4K | |
| 0005.Re:_error:_lbbl..> | 02-Jul-2004 02:14 | 2.3K | |
| 0006.defining_a_new_..> | 02-Jul-2004 12:03 | 1.1K | |
| 0007.atomscf_error_mp2 | 02-Jul-2004 12:15 | 1.4K | |
| 0008.Unresolved_atom..> | 02-Jul-2004 19:23 | 1.2K | |
| 0009.Re:_Unresolved_..> | 03-Jul-2004 03:30 | 1.9K | |
| 0010.Re:_Unresolved_..> | 03-Jul-2004 17:23 | 2.5K | |
| 0011.ASA_example_of_..> | 05-Jul-2004 12:07 | 1.3K | |
| 0012.cannot_find_ato..> | 05-Jul-2004 12:10 | 1.9K | |
| 0013.Re:_cannot_find..> | 05-Jul-2004 13:06 | 3.3K | |
| 0014.question_about_..> | 06-Jul-2004 09:04 | 2.6K | |
| 0015.Re:_ASA_example..> | 06-Jul-2004 09:37 | 2.3K | |
| 0016.Re:_question_ab..> | 06-Jul-2004 10:28 | 2.4K | |
| 0017.Missing_solvent..> | 06-Jul-2004 19:32 | 3.5K | |
| 0018.Re:_Missing_sol..> | 07-Jul-2004 11:16 | 1.8K | |
| 0019.watching_.trj_t..> | 07-Jul-2004 11:58 | 1.3K | |
| 0020.RE:_watching_.t..> | 07-Jul-2004 12:04 | 2.3K | |
| 0021.watching_.trj_t..> | 07-Jul-2004 13:21 | 1.9K | |
| 0022.Re:_watching_.t..> | 07-Jul-2004 13:54 | 2.1K | |
| 0023.RE:_Missing_sol..> | 08-Jul-2004 09:32 | 2.5K | |
| 0024.Missing_solvent..> | 08-Jul-2004 10:34 | 4.0K | |
| 0025.Inappropriate_i..> | 08-Jul-2004 12:49 | 9.1K | |
| 0026.Inappropriate_i..> | 08-Jul-2004 13:41 | 10K | |
| 0027.Re:_Inappropria..> | 09-Jul-2004 06:00 | 5.5K | |
| 0028.Re:_Inappropria..> | 09-Jul-2004 06:07 | 4.9K | |
| 0029.Problems_witn_I..> | 09-Jul-2004 07:30 | 2.4K | |
| 0030.Input_problems_ | 09-Jul-2004 07:50 | 8.5K | |
| 0031.Re:_Problems_wi..> | 09-Jul-2004 08:01 | 3.0K | |
| 0032.Re:_Input_probl..> | 09-Jul-2004 08:06 | 8.9K | |
| 0033.RE:_Inappropria..> | 09-Jul-2004 08:41 | 5.7K | |
| 0034.too_many_centers | 09-Jul-2004 11:44 | 1.4K | |
| 0035.RE:_too_many_ce..> | 09-Jul-2004 16:40 | 5.2K | |
| 0036.Re:_Problems_wi..> | 12-Jul-2004 03:51 | 8.8K | |
| 0037.Re:_Problems_wi..> | 12-Jul-2004 11:14 | 8.1K | |
| 0038.what_s_means_fo..> | 13-Jul-2004 04:51 | 2.2K | |
| 0039.RE:_what_s_mean..> | 13-Jul-2004 06:43 | 2.8K | |
| 0040.GA_problem | 13-Jul-2004 14:32 | 2.5K | |
| 0041.Re:_GA_problem | 14-Jul-2004 05:21 | 3.0K | |
| 0042.CHARMM_force_fi..> | 14-Jul-2004 12:04 | 3.1K | |
| 0043.TCE_module,_ccs..> | 14-Jul-2004 13:24 | 2.9K | |
| 0044._Unresolved_ato..> | 14-Jul-2004 13:56 | 1.8K | |
| 0045.Re:_TCE_module,..> | 15-Jul-2004 05:10 | 3.7K | |
| 0046.QMD_--_quantum_..> | 15-Jul-2004 11:15 | 2.2K | |
| 0047.int2e_packed_bu..> | 16-Jul-2004 02:05 | 3.6K | |
| 0048.Re:_QMD_--_quan..> | 19-Jul-2004 03:33 | 2.6K | |
| 0049.Re:_QMD_--_quan..> | 19-Jul-2004 07:51 | 3.4K | |
| 0050._set_geometry:a..> | 19-Jul-2004 11:06 | 2.0K | |
| 0051.RE:_set_geometr..> | 19-Jul-2004 12:02 | 3.0K | |
| 0052.Re:_set_geometr..> | 19-Jul-2004 13:26 | 4.1K | |
| 0053.RE:_set_geometr..> | 19-Jul-2004 13:43 | 5.4K | |
| 0054.binaries_instal..> | 20-Jul-2004 12:08 | 5.1K | |
| 0055.Re:_Problems_wi..> | 20-Jul-2004 18:46 | 5.0K | |
| 0056.Re:_binaries_in..> | 21-Jul-2004 01:26 | 5.7K | |
| 0057.nwchem_4.6_comp..> | 21-Jul-2004 06:40 | 1.5K | |
| 0058.Re:_nwchem_4.6_..> | 21-Jul-2004 07:44 | 2.1K | |
| 0059.Re:_nwchem_4.6_..> | 21-Jul-2004 07:51 | 19K | |
| 0060.Re:_nwchem_4.6_..> | 21-Jul-2004 07:59 | 21K | |
| 0061.Re:_nwchem_4.6_..> | 22-Jul-2004 08:40 | 2.2K | |
| 0062.Re:_binaries_in..> | 22-Jul-2004 08:41 | 7.4K | |
| 0063.Re:_binaries_in..> | 22-Jul-2004 08:56 | 7.8K | |
| 0064.Re:_binaries_in..> | 22-Jul-2004 09:53 | 2.1K | |
| 0065.what_s_means_fo..> | 22-Jul-2004 19:30 | 2.3K | |
| 0066.RE:_QMD_--_quan..> | 23-Jul-2004 03:41 | 1.9K | |
| 0067.optimisations_w..> | 23-Jul-2004 04:03 | 4.0K | |
| 0068.slow_connection | 23-Jul-2004 10:34 | 1.0K | |
| 0069.RE:_slow_connec..> | 23-Jul-2004 10:46 | 1.5K | |
| 0070.problem_with_ru..> | 23-Jul-2004 10:56 | 3.9K | |
| 0071.external_electr..> | 23-Jul-2004 13:50 | 1.1K | |
| 0072.fast_ethernet | 25-Jul-2004 14:57 | 3.3K | |
| 0073.Re:_fast_ethernet | 26-Jul-2004 01:20 | 2.8K | |
| 0074.Unrestricted_SC..> | 26-Jul-2004 08:14 | 1.8K | |
| 0075.Re:_Unrestricte..> | 27-Jul-2004 02:06 | 4.5K | |
| 0076.Problem_running..> | 28-Jul-2004 05:07 | 2.9K | |
| 0077.fix_solute | 28-Jul-2004 08:36 | 1.4K | |
| 0078.IR_intensities | 28-Jul-2004 11:06 | 2.4K | |
| 0079.PSPW_pseudopote..> | 29-Jul-2004 15:20 | 1.7K | |
| 0080.RE:_PSPW_pseudo..> | 30-Jul-2004 11:55 | 7.1K | |
| 0081.start_geometry_..> | 30-Jul-2004 15:49 | 1.4K | |
| 0082.RE:_start_geome..> | 30-Jul-2004 16:11 | 2.6K | |
| 0083.Re:_start_geome..> | 30-Jul-2004 18:41 | 2.6K | |