Amber Archive Jul 2013 by messages with attachments
779 messages
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Starting
Sun Jun 30 2013 - 23:30:02 PDT,
Ending
Wed Jul 31 2013 - 20:30:04 PDT
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[AMBER] The recommended way to create periodic box around lipid bilayer system ?
Marek Maly
(Mon Jul 01 2013 - 07:20:54 PDT)
boxes_fin.png
(522315 bytes)
Re: [AMBER] The recommended way to create periodic box around lipid bilayer system ?
Marek Maly
(Mon Jul 01 2013 - 11:26:11 PDT)
01_02.png
(635476 bytes)
Re: [AMBER] The recommended way to create periodic box around lipid bilayer system ?
Marek Maly
(Mon Jul 01 2013 - 15:48:37 PDT)
autoimage.png
(534070 bytes)
[AMBER] Amber11 AmberTools1.5 installation problem
Sangeetha B
(Tue Jul 02 2013 - 08:33:06 PDT)
23.log
(29107 bytes)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
Tru Huynh
(Wed Jul 03 2013 - 11:28:35 PDT)
deviceQuery.margy
(8890 bytes)
[AMBER] about run REMD(replica exchange molecular dynamic)
Biao Ma
(Wed Jul 03 2013 - 17:47:32 PDT)
clip_image004.jpg
(20252 bytes)
clip_image002.jpg
(15226 bytes)
[AMBER] question of Radius of Gyration
Chinh Su Tran To
(Thu Jul 04 2013 - 04:55:38 PDT)
test_RoG.gif
(7005 bytes)
[AMBER] installing Amber 11 and Amber tools 1.5
Muthukumaran R
(Thu Jul 04 2013 - 21:06:25 PDT)
23.log
(29107 bytes)
Re: [AMBER] question of Radius of Gyration
Chinh Su Tran To
(Thu Jul 04 2013 - 22:00:48 PDT)
gag_RadGyr_40ns.gif
(14793 bytes)
[AMBER] RE:Re: Re?Re: FATAL: Atom XXX does not have a type
sunyeping.aliyun.com
(Fri Jul 05 2013 - 11:05:56 PDT)
amber_NA.zip
(189607 bytes)
Re: [AMBER] constant pressure simulation
kirtana S
(Fri Jul 05 2013 - 11:05:00 PDT)
methanol_box.prmtop
(326774 bytes)
methanol_box.inpcrd
(54831 bytes)
methanol.off
(102479 bytes)
[AMBER] Fwd: Re: Copper parametrization for a laccase center
mmaestre.gate.sinica.edu.tw
(Tue Jul 09 2013 - 00:30:54 PDT)
distorted_cluster
(107836 bytes)
Clusters_separate
(34469 bytes)
laccase_H_sidechain_opt_full_input
(4494 bytes)
[AMBER] 答复: timecorr
Hongyi WU
(Tue Jul 09 2013 - 05:34:45 PDT)
Correlation.jpg
(78446 bytes)
[AMBER] instablity of ligand during minimization
Ibrahim Said
(Tue Jul 09 2013 - 13:09:15 PDT)
H2O-2.in
(319 bytes)
Re: [AMBER] AMBER GPU Job Write Fails
Jan-Philip Gehrcke
(Wed Jul 10 2013 - 06:58:38 PDT)
cuda_device_temp_week_gpu_lockup_amber_label.png
(49150 bytes)
[AMBER] Amber 12 on OSX 10.8.4
Wang Chern Hoe (Dr)
(Wed Jul 10 2013 - 16:17:59 PDT)
smime.p7s
(4815 bytes)
Re: [AMBER] Amber 12 on OSX 10.8.4
Wang Chern Hoe (Dr)
(Wed Jul 10 2013 - 19:09:00 PDT)
smime.p7s
(4815 bytes)
Re: [AMBER] Amber 12 on OSX 10.8.4
Wang Chern Hoe (Dr)
(Wed Jul 10 2013 - 23:01:34 PDT)
smime.p7s
(4815 bytes)
[AMBER] Wrong results in GTX TITAN, correct results on GTX580
iqtcub
(Thu Jul 11 2013 - 00:35:47 PDT)
3c4c_v600e_4_din.in
(327 bytes)
[AMBER] MCPB
Jinqiang
(Thu Jul 11 2013 - 08:54:06 PDT)
1AMP_OH_md.frcmod
(3263 bytes)
1AMP_OH_sem.frcmod
(3263 bytes)
Re: [AMBER] GTX780 News
Ross Walker
(Thu Jul 11 2013 - 20:24:56 PDT)
Flyer_for_Starter_2U_4xGPU_System_for_Your_Carrying_Case.pdf
(506177 bytes)
Re: [AMBER] Problem related to the umbrella sampling
Sindrila Dutta banik
(Thu Jul 11 2013 - 21:23:22 PDT)
JACS_2006_128_.pdf
(332746 bytes)
[AMBER] Problems running NAB scripts in the manual
Alexander Button
(Wed Jul 17 2013 - 00:08:09 PDT)
program_5.nab
(2191 bytes)
program_5.tat.in
(49 bytes)
program_5_edit.nab
(2197 bytes)
program_5_edit.tat.in
(50 bytes)
taDT.energy.dat
(2760 bytes)
taDT.triad.min.pdb
(7734 bytes)
temp.pdb
(7656 bytes)
tat.triad.min.pdb
(5486 bytes)
construct_triplex.nab
(2483 bytes)
program_6.nab
(3434 bytes)
tat_min.pdb
(7873 bytes)
program_5.cgc.in
(49 bytes)
cttctt.pdb
(44940 bytes)
[AMBER] antechamber issues
Hannes Loeffler
(Wed Jul 17 2013 - 02:02:47 PDT)
ring.pdb
(2111 bytes)
sybyl.mol2
(1509 bytes)
ring_babel.mol2
(1422 bytes)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
Kamali Sripathi
(Fri Jul 19 2013 - 12:20:44 PDT)
130719_RED_Server.png
(67147 bytes)
[AMBER] the question about the atom type of my molecule
lujing8556
(Mon Jul 22 2013 - 01:12:33 PDT)
VOXCU_IL1R__VO__CP_INWL.jpg
(16978 bytes)
Re: [AMBER] MMPBSA Alanine scan terminal residues
Jason Swails
(Tue Jul 23 2013 - 05:23:25 PDT)
alamdcrd.py
(18750 bytes)
Re: [AMBER] antechamber issues
Junmei Wang
(Tue Jul 23 2013 - 11:59:01 PDT)
mol2.c
(12014 bytes)
antechamber.c
(71515 bytes)
charge.c
(33197 bytes)
[AMBER] MMPBSA.py problem on G gas
Yi An
(Tue Jul 23 2013 - 14:53:34 PDT)
single_traj.out
(7204 bytes)
multi_traj.out
(10424 bytes)
[AMBER] Problem in running antechamber.Unable to achieve self consistency to the tolerances specified
devawati dutta
(Wed Jul 24 2013 - 01:25:36 PDT)
Original_ligand.pdb
(9389 bytes)
Modified_ligand.pdb
(8809 bytes)
[AMBER] DNA Phosphate error
mohit mazumder
(Fri Jul 26 2013 - 23:36:17 PDT)
edited.pdb
(31351 bytes)
leap.log
(20657 bytes)
[AMBER] bond command
sunyeping.aliyun.com
(Sat Jul 27 2013 - 21:12:14 PDT)
10_DEF.mod.pdb
(275164 bytes)
Re: [AMBER] Interaction energy-based residue-residue correlation matrix
anu chandra
(Sun Jul 28 2013 - 23:36:13 PDT)
Article_correlation.pdf
(672215 bytes)
[AMBER] mdread MMPBSA
tianchuan1015
(Tue Jul 30 2013 - 03:19:27 PDT)
mdread.f
(114144 bytes)
[AMBER] mdread
372133720
(Tue Jul 30 2013 - 03:36:25 PDT)
mdread.f
(114144 bytes)
Last message date
:
Wed Jul 31 2013 - 20:30:04 PDT
Archived on
: Wed Dec 04 2024 - 05:54:48 PST
779 messages
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