Amber Archive Aug 2017 by messages with attachments
390 messages
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Starting
Tue Aug 01 2017 - 04:00:02 PDT,
Ending
Thu Aug 31 2017 - 14:00:03 PDT
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Re: [AMBER] string methods in AMBER16
Chunli Yan
(Tue Aug 01 2017 - 13:07:35 PDT)
md01.in
(433 bytes)
cv.1
(145 bytes)
[AMBER] Number of triangulated 3-point waters found: 0
Shilpa Gupta
(Thu Aug 03 2017 - 03:50:59 PDT)
output.pdf
(30106 bytes)
[AMBER] results for string methods
Chunli Yan
(Mon Aug 07 2017 - 18:49:45 PDT)
08-07_21.47.58.png
(226402 bytes)
Re: [AMBER] gaff2 atom type (cs) is not in PARMCHK.DAT
Scott Brozell
(Tue Aug 08 2017 - 14:22:54 PDT)
Structure3D.frcmod
(3803 bytes)
[AMBER] Error in leap on using divalent ion
Chayya Bhargac
(Wed Aug 09 2017 - 06:23:42 PDT)
MG.frcmod
(41 bytes)
test_leap.in
(535 bytes)
MG.frcmod
(41 bytes)
test_leap.in
(535 bytes)
MG.dat
(1045 bytes)
Ca.dat
(1045 bytes)
[AMBER] Install in gpu AMBER14 for high performance computer
Saikat Pal
(Thu Aug 17 2017 - 08:46:02 PDT)
08-17_20-44-01.png
(384488 bytes)
Re: [AMBER] calculate PMF in string methods
Chunli Yan
(Thu Aug 17 2017 - 19:22:45 PDT)
torsion.jpg
(66274 bytes)
torsion.jpg
(102952 bytes)
string.png
(81380 bytes)
Re: [AMBER] Thermodynamic Integration using PMEMD
Roma Mukhopadhyay
(Fri Aug 18 2017 - 06:34:32 PDT)
molh.inpcrd
(1845 bytes)
molh.prmtop
(32941 bytes)
molx.pdb
(3721 bytes)
new.leap
(233 bytes)
Re: [AMBER] Thermodynamic Integration using PMEMD
Roma Mukhopadhyay
(Fri Aug 18 2017 - 09:13:46 PDT)
pkarep.zip
(8771 bytes)
[AMBER] RESP calculation in MCPBpy
Lizelle Lubbe
(Fri Aug 25 2017 - 03:39:18 PDT)
ZN1.mol2
(263 bytes)
WT1.mol2
(455 bytes)
resp2.pch
(6184 bytes)
resp2_calc.esp
(209431 bytes)
resp2.out
(23135 bytes)
resp2.chg
(993 bytes)
HD2.mol2
(1818 bytes)
HD1.mol2
(1818 bytes)
GU1.mol2
(1607 bytes)
resp1_calc.esp
(209431 bytes)
resp2.in
(2153 bytes)
resp1.pch
(6184 bytes)
resp1.out
(23225 bytes)
resp1.chg
(993 bytes)
resp1.in
(2127 bytes)
[AMBER] wrong ligand geometry
Thomas Evangelidis
(Sat Aug 26 2017 - 12:41:33 PDT)
wrong_geometry.png
(245028 bytes)
Re: [AMBER] Error while running antechamber for modified amino acid residue
Rajarshi Roy
(Sun Aug 27 2017 - 09:22:33 PDT)
CRO.cif
(8998 bytes)
[AMBER] Segmentation error in minimization
Lizelle Lubbe
(Mon Aug 28 2017 - 05:49:06 PDT)
min_error
(1137 bytes)
min3.in
(280 bytes)
min3.out
(89938 bytes)
Re: [AMBER] Hybridization problem in Amber
Julian Stys
(Mon Aug 28 2017 - 15:11:08 PDT)
08-28_at_3.47.22_PM.png
(48538 bytes)
Re: [AMBER] How to add the charged sphere (ion) with arbitrary charge to my PDB file.
Parviz Seifpanahi Shabane
(Thu Aug 31 2017 - 10:11:49 PDT)
TMN.png
(3324 bytes)
Last message date
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Thu Aug 31 2017 - 14:00:03 PDT
Archived on
: Mon Oct 14 2024 - 05:55:31 PDT
390 messages
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