Amber Archive Aug 2009: by messages with attachments

[AMBER] Showing error bharat lakhani (Sat Aug 01 2009 - 06:12:00 PDT)
1. HEM (9511 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] showing error when creating topology and coordinate file bharat lakhani (Mon Aug 03 2009 - 00:19:59 PDT)
1. HEM (10291 bytes)
2. CYP.pdb (523216 bytes)
3. ATT00002.txt (137 bytes)
AW: [AMBER] TWO restraints with different force constants Aust, Susanne (Wed Aug 05 2009 - 05:31:38 PDT)
1. ATT00002.txt (137 bytes)
[AMBER] ptraj failure to parse psf input Sasha Buzko (Wed Aug 05 2009 - 09:39:57 PDT)
1. blank_his3_autopsf.psf.tar.gz (847388 bytes)
2. ATT00002.txt (137 bytes)
Re: [AMBER] parmchk problem isaac sugden (Wed Aug 05 2009 - 10:21:53 PDT)
1. bonded_tmm_1_rs_rs_rr.mol2 (29123 bytes)
2. tmm_rs_rs_rr.pdb (22479 bytes)
3. ATT00002.txt (137 bytes)
[AMBER] antechamber am1-bcc issues David Mobley (Fri Aug 07 2009 - 11:19:53 PDT)
1. nitrothiophene.mol2 (1156 bytes)
2. nitrothiophene_ante_amber.mol2 (1300 bytes)
3. nitrothiophene_oechem_amber.mol2 (1324 bytes)
4. ATT00003.txt (18 bytes)
5. ATT00004.txt (137 bytes)
[AMBER] Re: antechamber am1-bcc issues case (Fri Aug 07 2009 - 16:54:38 PDT)
1. am1bcc.patch (3204 bytes)
2. ATT00002.txt (137 bytes)
Re: [AMBER] problem of mm_pbsa Qinghua Liao (Fri Aug 07 2009 - 18:11:43 PDT)
1. 6v_com.all.out (35072 bytes)
2. 6v_lig.all.out (35072 bytes)
3. 6v_rec.all.out (35072 bytes)
4. 6v_statistics.out (2125 bytes)
5. ATT00002.txt (137 bytes)
[AMBER] Re: How to solve the problem "RESTARTED DUE to LINMIN FAILURE" Jianping Lin (Mon Aug 10 2009 - 16:18:44 PDT)
1. test.tar.bz2 (38835 bytes)
2. ATT00002.txt (137 bytes)
AW: [AMBER] Any Comment, please Aust, Susanne (Tue Aug 11 2009 - 01:17:18 PDT)
1. ATT00002.txt (137 bytes)
RE: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why? Catein Catherine (Wed Aug 12 2009 - 19:23:40 PDT)
1. nmode_com.1.out (1076 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] ptraj-image Nancy (Thu Aug 13 2009 - 03:35:01 PDT)
1. ATT00002.txt (137 bytes)
[AMBER] box problem Nancy (Thu Aug 13 2009 - 04:20:20 PDT)
1. ATT00002.txt (137 bytes)
Re:Re: [AMBER] box problem Nancy (Thu Aug 13 2009 - 19:43:02 PDT)
1. cc.png (15146 bytes)
2. ATT00002.txt (137 bytes)
Re:Re: Re: [AMBER] box problem Nancy (Sun Aug 16 2009 - 00:31:02 PDT)
1. ATT00002.txt (137 bytes)
Re: [AMBER] Variations of the number of total hydrogen bond in MD simulations using ptraj workalemahu berhanu (Mon Aug 17 2009 - 06:26:35 PDT)
1. Hydrogen_bond_graph.doc (66048 bytes)
2. ATT00002.txt (137 bytes)
Re:Re: [AMBER] box problem Nancy (Mon Aug 17 2009 - 19:49:20 PDT)
1. ATT00002.txt (137 bytes)
Re: [AMBER] box problem Nancy (Mon Aug 17 2009 - 20:02:21 PDT)
1. ATT00002.txt (137 bytes)
Re:Re: [AMBER] box problem Nancy (Mon Aug 17 2009 - 20:18:02 PDT)
1. ATT00002.txt (137 bytes)
Re:Re: [AMBER] box problem Nancy (Mon Aug 17 2009 - 20:27:59 PDT)
1. ATT00002.txt (137 bytes)
[AMBER] antechamber execution subarna thakur (Mon Aug 17 2009 - 23:06:52 PDT)
1. RESP.out (283980 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] ***PROBLEMS WITH GROUPLRES Maria Mirza (Tue Aug 18 2009 - 17:34:41 PDT)
1. sander_com.in (498 bytes)
2. mm_pbsa.in (1345 bytes)
3. sander_com.out.1 (190685 bytes)
4. ATT00002.txt (137 bytes)
RE: [AMBER] angle with ptraj Seetin, Matthew (Wed Aug 19 2009 - 12:42:07 PDT)
1. ATT00002.txt (137 bytes)
Re: [AMBER] antechamber am1-bcc issues Khavrutskii, Ilja (Thu Aug 20 2009 - 05:03:43 PDT)
1. catechol.pdb (1388 bytes)
2. mopac.in (903 bytes)
3. mopac.out (18826 bytes)
4. mopac.pdb (770 bytes)
5. ATT00002.txt (137 bytes)
[AMBER] Inquiries about antechamber Yikan Chen (Wed Aug 26 2009 - 10:07:20 PDT)
1. 1X6W.pdb (96760 bytes)
2. 1X6W_3.pdb (19906 bytes)
3. ATT00002.txt (137 bytes)
Re: [AMBER] Inquiries about antechamber Nicholas Musolino (Wed Aug 26 2009 - 14:02:21 PDT)
1. Picture_1.png (69440 bytes)
2. ATT00003.txt (2949 bytes)
3. ATT00004.txt (137 bytes)
RE: [AMBER] Dyndom Loeffler, Hannes (STFC,DL,CSE) (Sat Aug 29 2009 - 08:18:18 PDT)
1. ATT00002.txt (137 bytes)
Re: [AMBER] How to derive charges from the output bharat lakhani (Mon Aug 31 2009 - 06:43:15 PDT)
1. 1Z10_N.prepi (7372 bytes)
2. 1Z10_N.log (500629 bytes)
3. ATT00002.txt (137 bytes)

Amber Archive Aug 2009 by messages with attachments