Amber Archive Apr 2015 by messages with attachments
574 messages
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Starting
Tue Mar 31 2015 - 20:30:03 PDT,
Ending
Thu Apr 30 2015 - 16:00:02 PDT
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[AMBER] 发送给你的文件
chemjxn
(Tue Mar 31 2015 - 23:29:00 PDT)
1amp_oh.leaprc
(657 bytes)
1amp_oh_tleap.out
(683260 bytes)
[AMBER] MCPB subprogram problem
chemjxn
(Tue Mar 31 2015 - 23:41:50 PDT)
1amp_oh.leaprc
(657 bytes)
1amp_oh_tleap.out
(683260 bytes)
ATT00004.txt
(134 bytes)
[AMBER] Error while running MMPBSA
Shreeramesh
(Thu Apr 02 2015 - 00:00:59 PDT)
mmpbsa.zip
(462950 bytes)
Re: [AMBER] Error while running MMPBSA
Shreeramesh
(Thu Apr 02 2015 - 07:47:42 PDT)
_MMPBSA_complex_gb.mdout.0
(5811 bytes)
[AMBER] FW: amber14 errors
IBRAHIM M ABDELRADY
(Thu Apr 02 2015 - 11:16:28 PDT)
ptraj_compile_error.txt
(8015 bytes)
ambercompile.log
(223547 bytes)
Re: [AMBER] Error while running MMPBSA
Shreeramesh
(Fri Apr 03 2015 - 02:24:10 PDT)
mdread.F90
(136864 bytes)
[AMBER] MMPBSA.py.MPI Installation Failure
Laura Tociu
(Sat Apr 04 2015 - 11:34:04 PDT)
mpi4py_install.log
(6381 bytes)
Re: [AMBER] Question Regarding reduce function of Antechamber
Ziheng Wang
(Sun Apr 05 2015 - 12:07:47 PDT)
sustiva_reduced.pdb
(1799 bytes)
[AMBER] REGARDING ATOM TYPE ERROR
Swithin Hanosh
(Mon Apr 06 2015 - 22:17:24 PDT)
hArsM.zip
(83096 bytes)
sam.lib.docx
(6557 bytes)
[AMBER] error generating P450 prmtop incrd file
Vaibhav Dixit
(Tue Apr 07 2015 - 04:54:14 PDT)
1W0E_prepared.pdb
(638788 bytes)
HEM_HS.frcmod
(1917 bytes)
HEM_pentacoordinateHS.mol2
(8013 bytes)
Re: [AMBER] AHTECHAMBER - G09
Ayesha Fatima
(Wed Apr 08 2015 - 07:33:47 PDT)
Preparation_of_ligand_with_RESP_charges_using_Gaussian.pptx
(59553 bytes)
[AMBER] MMBP(GB)SA free energy decomposition error: sander failed with prmtop
maryam azimzadehirani
(Wed Apr 08 2015 - 20:40:05 PDT)
structure_no_wat.parm7
(413319 bytes)
mmpbsa.in
(389 bytes)
[AMBER] intercalations
Arjun Sharma
(Fri Apr 10 2015 - 16:36:30 PDT)
pic.tga
(111946 bytes)
[AMBER] Error
Adnan Gulzar
(Sat Apr 11 2015 - 15:18:53 PDT)
PLP.gau
(2416 bytes)
PLP.pdb
(3887 bytes)
PLP_sqm.out
(3686 bytes)
PLP_1.gau
(3432 bytes)
PLP_1.mol2
(6926 bytes)
PLP_1.pdb
(5833 bytes)
PLP_1_sqm.out
(796 bytes)
[AMBER] REGARDING ENERGY MINIMISATION
Swithin Hanosh
(Tue Apr 14 2015 - 04:42:26 PDT)
min1.out
(8547 bytes)
[AMBER] REGARDING ENERGY MINIMISATION
Swithin Hanosh
(Wed Apr 15 2015 - 05:32:32 PDT)
min1.out
(11542 bytes)
Re: [AMBER] NMode Analysis Using Truncated Trajectory
Laura Tociu
(Thu Apr 16 2015 - 20:52:06 PDT)
mm_pbsa_createinput.pm
(32064 bytes)
[AMBER] Carbon nanotube simulation
Pierre Bertin
(Thu Apr 16 2015 - 23:51:08 PDT)
CNT_endsimul.png
(116625 bytes)
[AMBER] Problem regarding PMF curve
Shubhadip Das
(Sun Apr 19 2015 - 08:49:15 PDT)
pmf.pdf
(3675 bytes)
[AMBER] mcpb problem
chemjxn
(Wed Apr 22 2015 - 21:12:08 PDT)
1amp_oh.leaprc
(657 bytes)
1amp_oh_tleap.out
(683260 bytes)
Re: [AMBER] MMBP(GB)SA free energy decomposition error: sander failed with prmtop
maryam azimzadehirani
(Thu Apr 23 2015 - 00:22:27 PDT)
FINAL_DECOMP_MMPBSA.dat
(21419 bytes)
Re: [AMBER] Error: Unable to run flex; this is required for NAB and antechamber Please check your PATH, or install the program
Jason Swails
(Thu Apr 23 2015 - 12:19:45 PDT)
parm_setup.py
(36584 bytes)
[AMBER] Questions about T-REMD
lipengfei
(Mon Apr 27 2015 - 05:30:45 PDT)
04-27_19_04_54.png
(60944 bytes)
[AMBER] Antechamber Algorithm for Atom Type
Robert Molt
(Mon Apr 27 2015 - 18:19:57 PDT)
molecule.jpg
(376591 bytes)
[AMBER] STRUCTURAL CHANGE AFTER HEATING
Swithin Hanosh
(Thu Apr 30 2015 - 05:06:44 PDT)
SAM_comparison.png
(162782 bytes)
sam1.mol2
(5093 bytes)
sam1.frcmod
(805 bytes)
2heat.out
(80619 bytes)
Last message date
:
Thu Apr 30 2015 - 16:00:02 PDT
Archived on
: Mon Dec 02 2024 - 05:55:10 PST
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