Amber Archive Dec 2009 by messages with attachments

[AMBER] aromatic ring getting distorted Jio M (Fri Dec 04 2009 - 02:03:49 PST)
1. cc.png (37708 bytes)
2. cp.png (40245 bytes)
[AMBER] phosphorus to carbon on minimization Alexander Boncheff (Mon Dec 07 2009 - 07:48:45 PST)
1. a.prep (22736 bytes)
2. a.crd (10962 bytes)
3. a.top (138666 bytes)
[AMBER] question about failures peker milas (Mon Dec 07 2009 - 19:37:40 PST)
1. TEST_FAILURES.diff (2644 bytes)
[AMBER] myristate to palmitate transformation Anthony Pemberton (Tue Dec 08 2009 - 08:24:59 PST)
1. plm_check.pdb (248337 bytes)
2. step2.sh (3034 bytes)
3. plm_min_v1_l1.out (6864 bytes)
4. myr_check.pdb (247935 bytes)
5. myr_min_v0_l1.out (6528 bytes)
6. leap1.in (313 bytes)
7. leap2.in (642 bytes)
[AMBER] Re: COOH troubling Jio M (Wed Dec 09 2009 - 04:16:17 PST)
1. lig.mol2 (3906 bytes)
2. lig.frcmod (1657 bytes)
3. dcm.mol2 (650 bytes)
4. dcm.frcmod (129 bytes)
Re: [AMBER] Re: COOH troubling Junmei Wang (Thu Dec 10 2009 - 13:45:43 PST)
1. lig.prepi (3512 bytes)
2. lig2.mol2 (3906 bytes)
3. min6.out (25876 bytes)
4. md7.out (53506 bytes)
5. md7.pdb (36240 bytes)
Re: [AMBER] Re: COOH troubling Dean Cuebas (Thu Dec 10 2009 - 22:41:27 PST)
1. 23773.pngattachment.png (3127 bytes)
2. Macro_Pka_s_Bengal_rose.pdf (84931 bytes)
3. sybylatomtypes.mol2.png (18248 bytes)
4. rb1am1bcc.mol2 (3725 bytes)
5. x.frcmod (871 bytes)
6. SPARC_110920_26484872.png__PNG_Image__560x495_pixels_.pdf (38998 bytes)
RE: [AMBER] addles - neb error balaji nagarajan (Tue Dec 15 2009 - 19:26:51 PST)
1. addles.in (274 bytes)
2. addles.out (78868 bytes)
Re: [AMBER] sqm x mopac in AmberTools 1.3 David Watson (Tue Dec 22 2009 - 07:20:37 PST)
1. 132d.mol2.dif (213 bytes)
[AMBER] HOW TO OPTIMISE INDI-DIELC_MM VALUE for MM_PBSA calculation ? Marek Maly (Tue Dec 22 2009 - 10:49:42 PST)
1. INDI_DIELC_effect.png (15987 bytes)
[AMBER] NEB-error balaji nagarajan (Wed Dec 23 2009 - 08:04:46 PST)
1. SIZE.h (898 bytes)
2. addles.out (255648 bytes)
3. addles.in (274 bytes)
[AMBER] a question about ptraj qiaoyan (Fri Dec 25 2009 - 05:58:44 PST)
1. m32.pdb (94662 bytes)
2. m_in.pdb (94662 bytes)
[AMBER] reg.changing velocity balaji nagarajan (Sat Dec 26 2009 - 10:47:10 PST)
1. vel.tar.gz (1467516 bytes)
[AMBER] .rst file error ZhaoLei (Sun Dec 27 2009 - 06:46:37 PST)
1. recin_mut.tar.gz (1192552 bytes)
Re: [AMBER] using sqm from AmberTools 1.3 Alan (Tue Dec 29 2009 - 09:35:06 PST)
1. GNP_Mopac_X_Sqm.pdf (45898 bytes)
Re: [AMBER] using sqm from AmberTools 1.3 David Watson (Tue Dec 29 2009 - 11:34:28 PST)
1. GNP.mol2 (5072 bytes)
2. sqm.out (10317 bytes)
Re: [AMBER] using sqm from AmberTools 1.3 case (Tue Dec 29 2009 - 11:36:21 PST)
1. sqm_bad.in (2574 bytes)
2. sqm_good.in (2569 bytes)

Last message date: Thu Dec 31 2009 - 18:30:03 PST
Archived on: Mon Dec 23 2024 - 05:53:53 PST

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