Amber Archive Apr 2009 by messages with attachments
589 messages
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Starting
Wed Apr 01 2009 - 01:18:07 PDT,
Ending
Wed May 20 2009 - 13:55:33 PDT
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[AMBER] Failure to compile amber9 serial ifort gcc
Francesco Pietra
(Wed Apr 01 2009 - 04:04:18 PDT)
make.out
(461181 bytes)
ATT00002.txt
(137 bytes)
[AMBER] ptraj and namd charmm dcd
Sandro L. Fornili
(Wed Apr 01 2009 - 08:59:37 PDT)
trj.tgz
(211192 bytes)
ATT00002.txt
(137 bytes)
[AMBER] FF Parameters Transformations ...?
Marek Malý
(Wed Apr 01 2009 - 10:29:26 PDT)
mol.prepin
(2902 bytes)
mol.inpcrd
(1286 bytes)
mol.frcmod
(1168 bytes)
mol.pdb
(3053 bytes)
mol.prmtop
(20785 bytes)
attachment1653.txt
(137 bytes)
mol02.jpg
(17083 bytes)
mol01.jpg
(16991 bytes)
ATT00002.txt
(137 bytes)
[AMBER] please help me out
bharat lakhani
(Thu Apr 02 2009 - 03:13:48 PDT)
DRUG.pdb
(1501 bytes)
ATT00002.txt
(137 bytes)
Re: [AMBER] yacc parser
Francesco Pietra
(Thu Apr 02 2009 - 08:37:53 PDT)
make.out
(461181 bytes)
ATT00002.txt
(137 bytes)
[AMBER] amber9 serial compilation issues
Francesco Pietra
(Fri Apr 03 2009 - 11:38:12 PDT)
make.clean.out
(14340 bytes)
make.out
(459890 bytes)
ATT00002.txt
(137 bytes)
[AMBER] pmemd compilation/make failed - mkl_vml_service_threader_z_1i_c_1o
Vijay Manickam Achari
(Mon Apr 06 2009 - 00:27:24 PDT)
config.h
(1564 bytes)
ATT00002.txt
(137 bytes)
Re: Re: Re: [AMBER] sander.MPI parallel run problem
Dechang Li
(Mon Apr 06 2009 - 04:09:04 PDT)
ATT00002.txt
(137 bytes)
[AMBER] testing RRR with antechamber
Alan
(Mon Apr 06 2009 - 05:10:27 PDT)
gRRR.mol2
(7647 bytes)
ATT00002.txt
(137 bytes)
Re: [AMBER] TI production runs stop after a certain Step number
Ilyas Yildirim
(Tue Apr 07 2009 - 12:08:31 PDT)
ATT00002.txt
(137 bytes)
Re: [AMBER] specification of antechamber AC file format?
Nicholas Musolino
(Tue Apr 07 2009 - 12:43:57 PDT)
orig916_ws.mol2
(3152 bytes)
ATT00003.txt
(1262 bytes)
ATT00004.txt
(137 bytes)
Re: [AMBER] pmemd compilation/makefailed-mkl_vml_service_threader_z_1i_c_1o
Vijay Manickam Achari
(Tue Apr 07 2009 - 23:27:46 PDT)
config.h
(1348 bytes)
ATT00002.txt
(137 bytes)
RE: [AMBER] Failures of tests
Seetin, Matthew
(Wed Apr 08 2009 - 08:57:27 PDT)
ATT00002.txt
(137 bytes)
[AMBER] how to plot this kind of map?
lnin_1431.sina.com
(Thu Apr 09 2009 - 01:36:45 PDT)
1.png
(176177 bytes)
ATT00002.txt
(137 bytes)
Re: [AMBER] how to plot this kind of map?
Dechang Li
(Thu Apr 09 2009 - 01:46:16 PDT)
ATT00002.txt
(137 bytes)
[AMBER] antechamber problems
Jia Xu
(Thu Apr 09 2009 - 10:12:44 PDT)
m1.mol2
(5322 bytes)
ATT00002.txt
(137 bytes)
Re: [AMBER] Sander and multiple residues
Dan Kaps
(Fri Apr 10 2009 - 05:56:53 PDT)
leap.log
(13389 bytes)
ATT00002.txt
(137 bytes)
Re: [AMBER] Sander and multiple residues
Dan Kaps
(Fri Apr 10 2009 - 08:01:08 PDT)
wWater.pdb
(3548 bytes)
ATT00002.txt
(137 bytes)
[AMBER] ptraj (vector and corrplane)
taufik.alsarraj.utoronto.ca
(Fri Apr 10 2009 - 17:45:46 PDT)
240ps.jpeg
(31133 bytes)
ATT00002.txt
(137 bytes)
[AMBER] problem with explicit solvent in TMD
balaji nagarajan
(Mon Apr 13 2009 - 04:37:21 PDT)
Screenshot.png
(112167 bytes)
ATT00002.txt
(137 bytes)
[AMBER] antechamber and wrong net charge with gasteiger method
Alan
(Tue Apr 14 2009 - 10:41:30 PDT)
agJJJ.pdb
(2424 bytes)
agJJJ.mol2
(3632 bytes)
ATT00002.txt
(137 bytes)
Re: [AMBER] specification of antechamber AC file format?
Nicholas Musolino
(Wed Apr 15 2009 - 15:07:32 PDT)
orig901.mol2
(1340 bytes)
ATT00003.txt
(1270 bytes)
ATT00004.txt
(137 bytes)
[AMBER] please help me out
bharat lakhani
(Wed Apr 15 2009 - 23:41:08 PDT)
1CZM.pdb
(214812 bytes)
ATT00002.txt
(137 bytes)
[AMBER] pmemd in amber10 - compile failed in HPC
Vijay Manickam Achari
(Thu Apr 16 2009 - 03:13:49 PDT)
amber10_pmemd_error.txt
(3222 bytes)
config.h
(1060 bytes)
ATT00002.txt
(137 bytes)
[AMBER] 1-4 vdW, GB MM difference
Jimmy Heimdal
(Thu Apr 16 2009 - 04:57:01 PDT)
sander.in4
(399 bytes)
sander.in6
(399 bytes)
nowat.gz
(56880 bytes)
nowat.gz
(291320 bytes)
ATT00002.txt
(137 bytes)
[AMBER] ambertools failed - SMP IA64
Vijay Manickam Achari
(Thu Apr 16 2009 - 06:17:34 PDT)
config.h
(2775 bytes)
ATT00002.txt
(137 bytes)
[AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail
Marek Malý
(Mon Apr 20 2009 - 04:52:36 PDT)
BoundMaltose.png
(44780 bytes)
ATT00002.txt
(137 bytes)
Re: Re: [AMBER] Backbone restraint
Jackie. J. Shen
(Mon Apr 20 2009 - 18:12:13 PDT)
ATT00002.txt
(137 bytes)
Re: [AMBER] atom numbers
Vikas Sharma
(Tue Apr 21 2009 - 09:58:41 PDT)
1.mol2
(5838 bytes)
lig.pdb
(160299 bytes)
ATT00002.txt
(137 bytes)
Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail
Marek Malý
(Tue Apr 21 2009 - 19:31:34 PDT)
DEN_MAL.png
(76435 bytes)
ATT00002.txt
(137 bytes)
RE: [AMBER] Problem with RNA hairpin unwinding in explicit water
Seetin, Matthew
(Wed Apr 22 2009 - 15:22:29 PDT)
ATT00002.txt
(137 bytes)
Re: [AMBER] error in output file
Hemant Kumar
(Thu Apr 23 2009 - 05:20:25 PDT)
ATT00002.txt
(137 bytes)
[AMBER] Amber Installation problem
주태성
(Thu Apr 23 2009 - 18:35:46 PDT)
TEST_FAILURES.diff
(64773 bytes)
ATT00002.txt
(137 bytes)
[AMBER] Install
주태성
(Sun Apr 26 2009 - 06:45:45 PDT)
TEST_FAILURES.diff
(64773 bytes)
ATT00002.txt
(137 bytes)
[AMBER] Mixing of forcefields in case of covaletly bonded systems
Marek Malý
(Mon Apr 27 2009 - 05:06:38 PDT)
DEN_MAL.png
(79429 bytes)
ATT00002.txt
(137 bytes)
[AMBER] transport properties
oguz gurbulak
(Tue Apr 28 2009 - 07:11:05 PDT)
figure.bmp
(39702 bytes)
ATT00002.txt
(137 bytes)
RE: [AMBER] The PDB file was not recognized by Amber, what can i do?
Houyang Chen
(Tue Apr 28 2009 - 20:42:39 PDT)
Nanotube.pdb
(16441 bytes)
ATT00002.txt
(137 bytes)
Last message date
:
Wed May 20 2009 - 13:55:33 PDT
Archived on
: Fri Dec 06 2024 - 05:53:49 PST
589 messages
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