Amber Archive Oct 2018 by messages with attachments
389 messages
:
Starting
Mon Oct 01 2018 - 06:00:05 PDT,
Ending
Wed Oct 31 2018 - 13:30:03 PDT
This period
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[AMBER] Part of protein going out of the box
Leena Aggarwal
(Wed Oct 03 2018 - 07:57:32 PDT)
10-03_20-19-44.png
(153275 bytes)
[AMBER] Rigid body simulation of Nitrogenase's FeMo cluster
Sadra Aghajani
(Tue Oct 09 2018 - 00:32:17 PDT)
FMC.pdb
(3788 bytes)
[AMBER] FW: Fatal error in RESP calculation
fateme haghighi
(Wed Oct 10 2018 - 06:52:52 PDT)
antechamber_error1.JPG
(30666 bytes)
[AMBER] error in RESP calculation
fateme haghighi
(Thu Oct 11 2018 - 00:36:23 PDT)
antechamber_error1.JPG
(30666 bytes)
Re: [AMBER] Regarding calculation of RMSD using AMBER-18 CPPTRAJ V-18.01
DHEERAJ CHITARA
(Thu Oct 11 2018 - 01:23:10 PDT)
RNA_Backbone.png
(15149 bytes)
Re: [AMBER] Regarding Leap
Charu Sharma (JRF)
(Sat Oct 13 2018 - 03:46:17 PDT)
10-13_16-10-58.png
(257000 bytes)
[AMBER] Fondaparinux Amber Force Field
Marcelo Andrade Chagas
(Sun Oct 14 2018 - 07:31:42 PDT)
image.png
(226934 bytes)
[AMBER] GLYCAM Amber Force Field to Fondaparinux...?
Marcelo Andrade Chagas
(Mon Oct 15 2018 - 13:24:14 PDT)
image.png
(226934 bytes)
Re: [AMBER] Regarding Leap
Charu Sharma (JRF)
(Wed Oct 17 2018 - 04:30:14 PDT)
10-17_16-58-26.png
(201873 bytes)
Re: [AMBER] Regarding Leap
Charu Sharma (JRF)
(Wed Oct 17 2018 - 04:49:02 PDT)
10-13_11-29-15.png
(276712 bytes)
Re: [AMBER] Regarding Leap
Charu Sharma (JRF)
(Wed Oct 17 2018 - 04:50:56 PDT)
10-17_17-18-02.png
(216750 bytes)
Re: [AMBER] Regarding Leap
Charu Sharma (JRF)
(Wed Oct 17 2018 - 05:05:22 PDT)
10-17_17-35-08.png
(216766 bytes)
[AMBER] Problem with tleap
Ali Khodayari
(Wed Oct 17 2018 - 11:05:01 PDT)
ambertest.pdb
(516705 bytes)
[AMBER] Parametarization error
senal dinuka
(Wed Oct 17 2018 - 21:34:09 PDT)
prep_nonprot.pdb
(2754 bytes)
prep.pdb
(603693 bytes)
lig.frcmod
(230 bytes)
leap.log
(87440 bytes)
leap.in
(535 bytes)
Re: [AMBER] Parametarization error
senal dinuka
(Thu Oct 18 2018 - 00:18:16 PDT)
lig.frcmod
(67 bytes)
lig.pdb
(3434 bytes)
leap.log
(45572 bytes)
leap.in
(523 bytes)
lig.prep
(2840 bytes)
Re: [AMBER] Question about stripping waters
Maria Clelia Milletti
(Fri Oct 19 2018 - 13:42:24 PDT)
4EY4B2wHuframe12M4.out
(1214 bytes)
4EY4B2wHuframe12M1.in
(184 bytes)
Re: [AMBER] Question about stripping waters
Maria Clelia Milletti
(Tue Oct 23 2018 - 08:24:37 PDT)
4EY4B2wHuframe12M3.in
(127 bytes)
WATstripped.png
(196757 bytes)
4EY4B2wHuframe12M3.out
(2891 bytes)
Re: [AMBER] Alternative way to do targeted MD
Xiaoling Leng
(Thu Oct 25 2018 - 12:43:42 PDT)
step3.mdin
(1573 bytes)
cv.in
(155840 bytes)
[AMBER] the unperturbed charge of the unit is not zero
soukaina louerdi
(Sat Oct 27 2018 - 16:17:49 PDT)
error.PNG
(18766 bytes)
Re: [AMBER] the unperturbed charge of the unit is not zero
soukaina louerdi
(Sun Oct 28 2018 - 11:37:32 PDT)
h_p3ht.png
(20472 bytes)
[AMBER] Interplane angles using vector and vectormath in cpptraj
Matthew Turner
(Mon Oct 29 2018 - 15:35:09 PDT)
near_parallel_ringtest.zip
(5389 bytes)
Re: [AMBER] the unperturbed charge of the unit is not zero
soukaina louerdi
(Tue Oct 30 2018 - 03:59:25 PDT)
h_p3ht.png
(20472 bytes)
p3ht_h.png
(20599 bytes)
p3ht.png
(18911 bytes)
Re: [AMBER] the unperturbed charge of the unit is not zero
soukaina louerdi
(Tue Oct 30 2018 - 05:18:04 PDT)
p3ht_h.pdb
(4142 bytes)
h_p3ht.pdb
(4142 bytes)
p3htt.pdb
(3988 bytes)
Re: [AMBER] Interplane angles using vector and vectormath in cpptraj
Daniel Roe
(Tue Oct 30 2018 - 05:53:35 PDT)
cpptraj.out
(4267 bytes)
name1_name2_angle.dat
(44 bytes)
Re: [AMBER] Regarding Leap
Charu Sharma (JRF)
(Tue Oct 30 2018 - 08:49:49 PDT)
10-30_21-18-14.png
(209196 bytes)
Re: [AMBER] the unperturbed charge of the unit is not zero
Charu Sharma (JRF)
(Tue Oct 30 2018 - 09:26:11 PDT)
10-30_21-52-10.png
(235327 bytes)
Screenshot_from_2018-10-30_21-52-10.png
(235327 bytes)
Re: [AMBER] Regarding Leap
Charu Sharma (JRF)
(Tue Oct 30 2018 - 09:40:15 PDT)
10-30_22-08-26.png
(68019 bytes)
10-30_22-09-53.png
(176127 bytes)
Re: [AMBER] Regarding Leap
Charu Sharma (JRF)
(Tue Oct 30 2018 - 09:40:38 PDT)
10-30_22-09-53.png
(176127 bytes)
[AMBER] Amber Error (an illegal memory access)
Avirup Ghosh
(Tue Oct 30 2018 - 21:22:45 PDT)
image.png
(11373 bytes)
Last message date
:
Wed Oct 31 2018 - 13:30:03 PDT
Archived on
: Wed Dec 25 2024 - 05:55:44 PST
389 messages
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