Amber Archive Oct 2018: by messages with attachments

[AMBER] Part of protein going out of the box Leena Aggarwal (Wed Oct 03 2018 - 07:57:32 PDT)
1. 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)
1. FMC.pdb (3788 bytes)
[AMBER] FW: Fatal error in RESP calculation fateme haghighi (Wed Oct 10 2018 - 06:52:52 PDT)
1. antechamber_error1.JPG (30666 bytes)
[AMBER] error in RESP calculation fateme haghighi (Thu Oct 11 2018 - 00:36:23 PDT)
1. 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)
1. RNA_Backbone.png (15149 bytes)
Re: [AMBER] Regarding Leap Charu Sharma (JRF) (Sat Oct 13 2018 - 03:46:17 PDT)
1. 10-13_16-10-58.png (257000 bytes)
[AMBER] Fondaparinux Amber Force Field Marcelo Andrade Chagas (Sun Oct 14 2018 - 07:31:42 PDT)
1. image.png (226934 bytes)
[AMBER] GLYCAM Amber Force Field to Fondaparinux...? Marcelo Andrade Chagas (Mon Oct 15 2018 - 13:24:14 PDT)
1. image.png (226934 bytes)
Re: [AMBER] Regarding Leap Charu Sharma (JRF) (Wed Oct 17 2018 - 04:30:14 PDT)
1. 10-17_16-58-26.png (201873 bytes)
Re: [AMBER] Regarding Leap Charu Sharma (JRF) (Wed Oct 17 2018 - 04:49:02 PDT)
1. 10-13_11-29-15.png (276712 bytes)
Re: [AMBER] Regarding Leap Charu Sharma (JRF) (Wed Oct 17 2018 - 04:50:56 PDT)
1. 10-17_17-18-02.png (216750 bytes)
Re: [AMBER] Regarding Leap Charu Sharma (JRF) (Wed Oct 17 2018 - 05:05:22 PDT)
1. 10-17_17-35-08.png (216766 bytes)
[AMBER] Problem with tleap Ali Khodayari (Wed Oct 17 2018 - 11:05:01 PDT)
1. ambertest.pdb (516705 bytes)
[AMBER] Parametarization error senal dinuka (Wed Oct 17 2018 - 21:34:09 PDT)
1. prep_nonprot.pdb (2754 bytes)
2. prep.pdb (603693 bytes)
3. lig.frcmod (230 bytes)
4. leap.log (87440 bytes)
5. leap.in (535 bytes)
Re: [AMBER] Parametarization error senal dinuka (Thu Oct 18 2018 - 00:18:16 PDT)
1. lig.frcmod (67 bytes)
2. lig.pdb (3434 bytes)
3. leap.log (45572 bytes)
4. leap.in (523 bytes)
5. lig.prep (2840 bytes)
Re: [AMBER] Question about stripping waters Maria Clelia Milletti (Fri Oct 19 2018 - 13:42:24 PDT)
1. 4EY4B2wHuframe12M4.out (1214 bytes)
2. 4EY4B2wHuframe12M1.in (184 bytes)
Re: [AMBER] Question about stripping waters Maria Clelia Milletti (Tue Oct 23 2018 - 08:24:37 PDT)
1. 4EY4B2wHuframe12M3.in (127 bytes)
2. WATstripped.png (196757 bytes)
3. 4EY4B2wHuframe12M3.out (2891 bytes)
Re: [AMBER] Alternative way to do targeted MD Xiaoling Leng (Thu Oct 25 2018 - 12:43:42 PDT)
1. step3.mdin (1573 bytes)
2. cv.in (155840 bytes)
[AMBER] the unperturbed charge of the unit is not zero soukaina louerdi (Sat Oct 27 2018 - 16:17:49 PDT)
1. 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)
1. h_p3ht.png (20472 bytes)
[AMBER] Interplane angles using vector and vectormath in cpptraj Matthew Turner (Mon Oct 29 2018 - 15:35:09 PDT)
1. 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)
1. h_p3ht.png (20472 bytes)
2. p3ht_h.png (20599 bytes)
3. 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)
1. p3ht_h.pdb (4142 bytes)
2. h_p3ht.pdb (4142 bytes)
3. p3htt.pdb (3988 bytes)
Re: [AMBER] Interplane angles using vector and vectormath in cpptraj Daniel Roe (Tue Oct 30 2018 - 05:53:35 PDT)
1. cpptraj.out (4267 bytes)
2. name1_name2_angle.dat (44 bytes)
Re: [AMBER] Regarding Leap Charu Sharma (JRF) (Tue Oct 30 2018 - 08:49:49 PDT)
1. 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)
1. 10-30_21-52-10.png (235327 bytes)
2. 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)
1. 10-30_22-08-26.png (68019 bytes)
2. 10-30_22-09-53.png (176127 bytes)
Re: [AMBER] Regarding Leap Charu Sharma (JRF) (Tue Oct 30 2018 - 09:40:38 PDT)
1. 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)
1. image.png (11373 bytes)

Amber Archive Oct 2018 by messages with attachments