Amber Archive Jan 2015 by messages with attachments
533 messages
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Starting
Wed Dec 31 2014 - 18:30:02 PST,
Ending
Sat Jan 31 2015 - 20:00:02 PST
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[AMBER] ZN metal parametrization using MCPB -reg
sailu
(Thu Jan 01 2015 - 05:43:40 PST)
1AMP_OH_fixed.pdb
(90024 bytes)
1AMP_OH_fixed_H.pdb
(173341 bytes)
1AMP_OH_sidechain.bcl
(2842 bytes)
1AMP_OH_sidechain.bcl.log
(321370 bytes)
Re: [AMBER] Need help in Targeted MD
Pallavi Mohanty
(Thu Jan 01 2015 - 22:14:03 PST)
tmdoTOc20.out
(6651 bytes)
Re: [AMBER] FW: clustering problem in ambertool14
Mahendra B Thapa
(Fri Jan 02 2015 - 08:08:40 PST)
TEST_LOG
(2565 bytes)
Re: [AMBER] Need help in Targeted MD
Pallavi Mohanty
(Mon Jan 05 2015 - 04:01:47 PST)
tmdoTOc41.out
(6843 bytes)
[AMBER] The protein unfolded through the simulation
Hadeer ELHabashy
(Wed Jan 07 2015 - 17:06:36 PST)
2f47_0000md.png
(87460 bytes)
2f47_6523md.png
(30797 bytes)
Re: [AMBER] ZN metal parametrization using MCPB -reg
Pengfei Li
(Thu Jan 08 2015 - 08:37:24 PST)
1AMP_OH_sidechain.bcl
(2838 bytes)
[AMBER] Errors during Building Sidechain Model(MCPB program)
wjli
(Wed Jan 14 2015 - 20:18:51 PST)
lac_3CU_sidechain.bcl
(5888 bytes)
[AMBER] Error while running tleap in AMBER
Shreeramesh
(Thu Jan 15 2015 - 05:08:05 PST)
tleap.all
(497 bytes)
rec.pdb
(357159 bytes)
[AMBER] How to fix 1-4 ELE error
Kshatresh Dutta Dubey
(Thu Jan 15 2015 - 07:17:18 PST)
Screenshot.png
(22107 bytes)
image.jpeg
(66364 bytes)
[AMBER] Principal Axis
Karl Kirschner
(Fri Jan 16 2015 - 02:01:15 PST)
output.png
(23420 bytes)
Re: [AMBER] Errors during Building Sidechain Model(MCPB program)
Pengfei Li
(Sat Jan 17 2015 - 07:37:44 PST)
lac_3CU_sidechain.bcl
(5893 bytes)
[AMBER] Periodic image of iwrapped structure
Hadeer ELHabashy
(Sun Jan 18 2015 - 15:05:13 PST)
final_97.png
(71072 bytes)
Re: [AMBER] Principal Axis
Daniel Roe
(Tue Jan 20 2015 - 09:43:25 PST)
principalAxes.jpg
(71736 bytes)
red1.jpg
(53959 bytes)
red2.jpg
(54285 bytes)
blue1.jpg
(53947 bytes)
blue2.jpg
(54878 bytes)
Re: [AMBER] Proper output form of DCCM Analysis using ptraj
Suchetana Gupta
(Tue Jan 20 2015 - 20:01:16 PST)
01-21_09:29:59.png
(175693 bytes)
Re: [AMBER] Fwd: NVE GPU question
Gerald Monard
(Thu Jan 22 2015 - 14:56:14 PST)
1.jpg
(65007 bytes)
1.jpg
(82853 bytes)
Re: [AMBER] Fwd: NVE GPU question
Joseph Baker
(Thu Jan 22 2015 - 16:26:24 PST)
nveplots.jpg
(41671 bytes)
Re: [AMBER] FW: FW: FW: FW: clustering problem in ambertool14
Mahendra B Thapa
(Fri Jan 23 2015 - 06:24:53 PST)
output_message_on_screen.txt
(1926 bytes)
cpptraj_openMP
(271 bytes)
Re: [AMBER] NVE GPU question
Joseph Baker
(Fri Jan 23 2015 - 08:10:54 PST)
gpu_vs_cpu.jpg
(48375 bytes)
Re: [AMBER] Atom type parameterization and prmtop file
asdda asa
(Mon Jan 26 2015 - 18:15:55 PST)
TMPyPa.pdb
(8514 bytes)
[AMBER] Targeted MD error
Pallavi Mohanty
(Tue Jan 27 2015 - 22:11:21 PST)
tgt_run7.out
(34721 bytes)
Re: [AMBER] problem with antechamber
Maryam Hamzehee
(Wed Jan 28 2015 - 01:40:58 PST)
over.pdb
(5157 bytes)
Re: [AMBER] problem with antechamber
Maryam Hamzehee
(Wed Jan 28 2015 - 03:45:46 PST)
over_h.pdb
(1931 bytes)
Re: [AMBER] ambertools14 fresh installation fails
Fabian Glaser
(Wed Jan 28 2015 - 05:01:24 PST)
01-28_13-56-41.diff
(34471 bytes)
01-28_13-56-41.log
(215151 bytes)
at_summary
(294 bytes)
[AMBER] [cpptraj] Problem with nativecontacts
Juan Eiros Zamora
(Wed Jan 28 2015 - 05:02:10 PST)
map2.png
(19875 bytes)
Re: [AMBER] FATAL: Atom .R
.A
does not have a type.
Mahad Gatti Iou
(Thu Jan 29 2015 - 05:10:32 PST)
chain_B_D.pdb
(243897 bytes)
[AMBER] big cavity in the trajectory
Tong Zhu
(Fri Jan 30 2015 - 00:29:01 PST)
______.PNG
(29167 bytes)
Re: [AMBER] AMBER 14 DPFP single energy calculations inconsistent
Ilyas Yildirim
(Fri Jan 30 2015 - 02:13:58 PST)
prmtop.notworking
(10651410 bytes)
prmtop.working
(10651410 bytes)
inpcrd
(917548 bytes)
Last message date
:
Sat Jan 31 2015 - 20:00:02 PST
Archived on
: Fri Nov 22 2024 - 05:55:03 PST
533 messages
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