Amber Archive Apr 2011 by messages with attachments
723 messages
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Starting
Fri Apr 01 2011 - 00:30:02 PDT,
Ending
Sat Apr 30 2011 - 17:30:02 PDT
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[AMBER] positive TdS
Hector A. Baldoni
(Fri Apr 01 2011 - 09:26:01 PDT)
mmpbsa_per_res_decomp.in
(176 bytes)
FINAL_RESULTS_MMPBSA.txt
(8396 bytes)
Re: [AMBER] Missing Parameters
Melanie
(Sun Apr 03 2011 - 16:24:32 PDT)
frcmod.njw
(987 bytes)
[AMBER] sleap with ff02pol.r1
r smith
(Mon Apr 04 2011 - 07:54:19 PDT)
em_ac.mol2
(3024 bytes)
[AMBER] MMPBSA error
Kshatresh Dutta Dubey
(Thu Apr 07 2011 - 00:52:41 PDT)
log2
(1585 bytes)
[AMBER] rfree: Error decoding variable 1 3 from: pmemd.MPI and pmemd error
miriam sgobba
(Fri Apr 08 2011 - 11:03:21 PDT)
cpx_mir_iw_min1.out
(24431 bytes)
[AMBER] tleap problem
George Tzotzos
(Fri Apr 08 2011 - 14:11:43 PDT)
caryophyllene.gif
(1147 bytes)
Re: [AMBER] MMPBSA error
Kshatresh Dutta Dubey
(Sat Apr 09 2011 - 03:37:51 PDT)
binding_energy.mmpbsa
(8405 bytes)
[AMBER] Editing Protein - Change Bond
Melanie
(Sun Apr 10 2011 - 02:37:28 PDT)
3NJW_edit.pdb
(22811 bytes)
[AMBER] Error in installing Amber Tools
majid hasan
(Sun Apr 10 2011 - 12:40:40 PDT)
output_of_make_in_amber11
(6926 bytes)
netcdf_config.log
(4322 bytes)
Re: [AMBER] Error in installing Amber Tools
majid hasan
(Sun Apr 10 2011 - 13:41:53 PDT)
config.log
(33346 bytes)
[AMBER] segmentation fault on antechamber when using carbon nano tube
Bongkeun Kim
(Mon Apr 11 2011 - 13:01:48 PDT)
ACDOCTOR.mol2
(59689 bytes)
ACDOCTOR_ATOM.ac
(70439 bytes)
[AMBER] Error on running parameter 'sander'
Sanjay kundu
(Mon Apr 11 2011 - 22:52:53 PDT)
md_classical.in
(175 bytes)
[AMBER] Fwd: docked complex file preparation
siddesh southekal
(Mon Apr 11 2011 - 10:44:17 PDT)
complex_eqi.rst
(1193506 bytes)
[AMBER] Spatial Distribution Functions
Agostino Bruno
(Fri Apr 08 2011 - 07:10:10 PDT)
22355_ftp.pdf
(1565473 bytes)
Re: [AMBER] solvate with crystal water
Hashem Taha
(Tue Apr 12 2011 - 17:56:39 PDT)
leap.log
(1527555 bytes)
[AMBER] Error while installing amber11
sonali dhindwal
(Wed Apr 13 2011 - 07:42:15 PDT)
error_while_compiling.txt
(32559 bytes)
Re: [AMBER] Error while installing amber11
sonali dhindwal
(Wed Apr 13 2011 - 21:26:21 PDT)
04-14_08-50-29.diff
(102607 bytes)
04-14_08-50-29.log
(69739 bytes)
error_while_compiling.txt
(32559 bytes)
[AMBER] Leap error with Zinc ions
Manish Datt
(Thu Apr 14 2011 - 07:22:29 PDT)
zinc2.pdb
(4743 bytes)
leap.log
(10096 bytes)
Re: [AMBER] solvate with crystal water
Hashem Taha
(Thu Apr 14 2011 - 08:37:42 PDT)
4S2.frcmod
(258 bytes)
LK5.frcmod
(62 bytes)
test.pdb
(556176 bytes)
4S2.off
(12314 bytes)
Re: [AMBER] solvate with crystal water
Hashem Taha
(Thu Apr 14 2011 - 08:39:02 PDT)
LK5.off
(3288 bytes)
Re: [AMBER] solvate with crystal water
Hashem Taha
(Thu Apr 14 2011 - 09:04:44 PDT)
CY3.frcmod
(129 bytes)
CY3.off
(2211 bytes)
Re: [AMBER] How to find Acetyl-coa parameters in R.E.D.DB?
Yuan Yao
(Thu Apr 14 2011 - 09:46:29 PDT)
sqm.out
(14976 bytes)
Re: [AMBER] How to find Acetyl-coa parameters in R.E.D.DB?
Yuan Yao
(Thu Apr 14 2011 - 10:05:12 PDT)
coa_h_bbd_x.mol2
(8125 bytes)
[AMBER] Error in Installing MTK++ software
Naveen Samala
(Thu Apr 14 2011 - 12:58:29 PDT)
config.log
(54950 bytes)
Re: [AMBER] MMPBSA.py.MPI error
陳昭同
(Thu Apr 14 2011 - 19:58:38 PDT)
md2
(191 bytes)
mmpbsa2.in
(191 bytes)
[AMBER] puzzle ahout constructing .prepin
hanlu0366
(Fri Apr 15 2011 - 18:54:40 PDT)
TTF.cif
(3558 bytes)
hanlu0366_gmail.com.jpg
(7279 bytes)
[AMBER] FW: Leap error with Zinc ions
Manish Datt
(Mon Apr 18 2011 - 07:42:32 PDT)
zinc2.pdb
(4743 bytes)
leap.log
(10096 bytes)
Re: [AMBER] amber parameters for Ni
Ben Roberts
(Mon Apr 18 2011 - 08:34:18 PDT)
smime.p7s
(2670 bytes)
[AMBER] MCPB instructions (was: Re: MCPB program - how to download)
Ben Roberts
(Mon Apr 18 2011 - 08:45:00 PDT)
smime.p7s
(2670 bytes)
Re: [AMBER] FW: Leap error with Zinc ions
Ben Roberts
(Mon Apr 18 2011 - 09:42:50 PDT)
smime.p7s
(2670 bytes)
Re: [AMBER] AMBER 11 pbsa errors
Dmitry Osolodkin
(Tue Apr 19 2011 - 08:26:13 PDT)
mdout.dmp.min
(4496 bytes)
mdout.dmp.min.save
(7310 bytes)
Re: [AMBER] Regarding understanding MTK++ Document
Ben Roberts
(Tue Apr 19 2011 - 10:31:59 PDT)
smime.p7s
(2670 bytes)
Re: [AMBER] Regarding understanding MTK++ Document
Ben Roberts
(Tue Apr 19 2011 - 10:40:49 PDT)
smime.p7s
(2670 bytes)
[AMBER] failures in tests of amber tools 1.5
juzer stationwala
(Wed Apr 20 2011 - 22:31:26 PDT)
04-21_10-09-32.diff
(7087 bytes)
Re: [AMBER] gaussian
Ben Roberts
(Thu Apr 21 2011 - 07:04:05 PDT)
smime.p7s
(2670 bytes)
Re: [AMBER] Problems with constant pH calc Amber 11
John Khan
(Sat Apr 23 2011 - 16:55:54 PDT)
cpin_1.cpin
(57509 bytes)
Re: [AMBER] Problems with constant pH calc Amber 11
John Khan
(Mon Apr 25 2011 - 11:10:24 PDT)
IJKmd2.out
(6812 bytes)
Re: [AMBER] End of protonate method with amber11?
Ben Roberts
(Tue Apr 26 2011 - 07:21:44 PDT)
smime.p7s
(3919 bytes)
[AMBER] Problem with cluster?
Roman Osman
(Tue Apr 26 2011 - 08:39:36 PDT)
brd41_nt_bd_2.txt
(136337 bytes)
Re: [AMBER] MCPB help
Ben Roberts
(Tue Apr 26 2011 - 11:30:24 PDT)
smime.p7s
(2670 bytes)
Re: [AMBER] MTK++ : genMetalFF.sh is not generating gaussian input files
Ben Roberts
(Tue Apr 26 2011 - 15:45:58 PDT)
smime.p7s
(2670 bytes)
Re: [AMBER] Regarding Gaussian Calculations for MTK++ example- sidechain model
Ben Roberts
(Thu Apr 28 2011 - 09:28:12 PDT)
smime.p7s
(2670 bytes)
[AMBER] forrtl: severe (64): input conversion error, unit -5, file Internal Formatted Read
Katharina Lang
(Fri Apr 29 2011 - 07:33:02 PDT)
smime.p7s
(5473 bytes)
Last message date
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Sat Apr 30 2011 - 17:30:02 PDT
Archived on
: Fri Oct 04 2024 - 05:54:15 PDT
723 messages
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