Amber Archive Feb 2015 by messages with attachments
561 messages
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Starting
Sat Jan 31 2015 - 10:30:02 PST,
Ending
Sat Feb 28 2015 - 13:30:02 PST
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[AMBER] error in equil.rst steps of AMBER
Shreeramesh
(Mon Feb 02 2015 - 06:32:51 PST)
Full_Mini.in
(209 bytes)
Heating.in
(324 bytes)
Partial_Mini.in
(217 bytes)
equil.in
(291 bytes)
md.in
(292 bytes)
run_md.sub
(1115 bytes)
tleap.all
(342 bytes)
[AMBER] have not atom type
Fatemeh Sadat Alavi
(Tue Feb 03 2015 - 22:20:36 PST)
error
(4351 bytes)
[AMBER] MD cis-azobenzene error
Anya Leach
(Wed Feb 04 2015 - 13:38:43 PST)
vac_cis2.rst
(2731 bytes)
heat.out
(80839 bytes)
azocis_updated.frcmod
(3275 bytes)
Re: [AMBER] FATAL: Atom .R
.A
does not have a type.
Mahad Gatti Iou
(Thu Feb 05 2015 - 08:58:31 PST)
log
(131283 bytes)
minimize2
(426500 bytes)
[AMBER] MCPB
chemjxn.126.com
(Fri Feb 06 2015 - 00:21:14 PST)
1AMP_OH_settings.bcl
(446 bytes)
1AMP_OH_sidechain.bcl
(4156 bytes)
1AMP_OH_sidechain.bcl.log
(7180 bytes)
[AMBER] protein falls apart on explicit solvation md
Anupam Goel
(Fri Feb 06 2015 - 12:04:36 PST)
untitled_folder.txt
(208 bytes)
Screenshot.png
(492712 bytes)
[AMBER] Strange md and RMSD behavior
Hadeer ELHabashy
(Sat Feb 07 2015 - 13:22:43 PST)
RMSD_175_vs_Time.JPG
(66266 bytes)
[AMBER] unexpected behaviour with antechamber
Hannes Loeffler
(Mon Feb 09 2015 - 08:31:07 PST)
ac_sqm_crd.tar.bz2
(2721 bytes)
Re: [AMBER] unexpected behaviour with antechamber
David A Case
(Mon Feb 09 2015 - 17:46:58 PST)
antechamber.patch
(17206 bytes)
[AMBER] antechamber error
Harmeet Kaur
(Tue Feb 10 2015 - 23:07:13 PST)
3.png
(258258 bytes)
Re: [AMBER] calculating HB lifetime
Vijay Achari
(Thu Feb 12 2015 - 07:19:12 PST)
cpptraj.log
(121244 bytes)
Re: [AMBER] memory issue in mmpbsa_py_nabnmode
Marek Maly
(Thu Feb 12 2015 - 15:00:29 PST)
6_MMPBSA_complex_nm.out.0
(324052 bytes)
2_MMPBSA_complex_nm.out.0
(288898 bytes)
[AMBER] hbond analysis
Ayesha Fatima
(Thu Feb 12 2015 - 23:48:42 PST)
hbond6.out
(8593 bytes)
test.ptraj
(1237 bytes)
[AMBER] rotational diffusion
Vijay Achari
(Fri Feb 13 2015 - 03:00:08 PST)
deffs.dat
(22000 bytes)
rotdif.out
(120659 bytes)
[AMBER] dont have atom type
Fatemeh Sadat Alavi
(Mon Feb 16 2015 - 04:44:10 PST)
LIG.mol2
(7470 bytes)
errorscript.txt
(14577 bytes)
complex_edit.pdb
(144417 bytes)
[AMBER] combining trajectories
Ayesha Fatima
(Mon Feb 16 2015 - 06:29:05 PST)
combine1.in
(209 bytes)
hbond7.out
(7657 bytes)
test.ptraj
(1210 bytes)
Re: [AMBER] Error while running tleap for the ligand containing two chlorine atoms
Shreeramesh
(Fri Feb 20 2015 - 04:33:05 PST)
lig.mol2
(3119 bytes)
lig2.mol2
(13854 bytes)
com_solvated.pdb
(192974 bytes)
tleap.all
(573 bytes)
[AMBER] Lipid14 POPE lipids
Joseph Baker
(Fri Feb 20 2015 - 04:42:09 PST)
area_per_lipid.jpg
(34878 bytes)
Re: [AMBER] single strand DNA in hairpin conformation
Urszula Uciechowska
(Fri Feb 20 2015 - 05:46:52 PST)
hairpin.jpeg
(38972 bytes)
Re: [AMBER] Error while running tleap for the ligand containing two chlorine atoms
Shreeramesh
(Sat Feb 21 2015 - 07:41:08 PST)
mailing_list.zip
(121305 bytes)
[AMBER] Fwd: Amber tleap error
Garisekurthi Satheesh
(Sun Feb 22 2015 - 19:30:09 PST)
tleap_error
(6973 bytes)
pzq.frcmod
(409 bytes)
pzq.mol2
(4895 bytes)
pzq.pdb
(3721 bytes)
s.man_lig.pdb
(147636 bytes)
[AMBER] RV: segmentation fault when running parmchk
belen nieto
(Mon Feb 23 2015 - 02:45:43 PST)
22monoSgass.mol2
(78596 bytes)
[AMBER] H-REMD failure on GPU
Carlo Guardiani
(Wed Feb 25 2015 - 08:57:43 PST)
Edihed_Equil.jpg
(48629 bytes)
Re: [AMBER] Lipid14 POPE lipids
Joseph Baker
(Fri Feb 27 2015 - 08:29:45 PST)
aplDOPC.jpg
(33299 bytes)
aplPOPE.jpg
(74418 bytes)
Last message date
:
Sat Feb 28 2015 - 13:30:02 PST
Archived on
: Wed Dec 25 2024 - 05:55:08 PST
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