Amber Archive Oct 2017 by messages with attachments

Re: [AMBER] Thermodynamic Integration with pmemd, for explicit solvent models Roma Mukhopadhyay (Sun Oct 01 2017 - 16:54:40 PDT)
1. pmemd_explicit.zip (232805 bytes)
[AMBER] TI calculations using pmemd Roma Mukhopadhyay (Wed Oct 04 2017 - 13:00:22 PDT)
1. pmemd_asp.zip (55337 bytes)
[AMBER] Generating a dimer starting from monomers using MD jacob wick (Thu Oct 05 2017 - 02:26:48 PDT)
1. image.png (18538 bytes)
[AMBER] System preparation for protein with Multiple Zn-CCCC Parthiban Marimuthu (Fri Oct 06 2017 - 09:16:07 PDT)
1. protein.zip (63512 bytes)
Re: [AMBER] System preparation for protein with Multiple Zn-CCCC Parthiban Marimuthu (Sat Oct 07 2017 - 13:58:49 PDT)
1. zaff-prep.pdb (98080 bytes)
[AMBER] MMPBSA error sangita kachhap (Mon Oct 09 2017 - 07:27:26 PDT)
1. mmpbsa.out (10594 bytes)
[AMBER] MCPB.py issue - add_bonded_pairs Szymon Żaczek (Mon Oct 09 2017 - 08:37:38 PDT)
1. 5ujo_ready.pdb (322380 bytes)
2. RU.mol2 (281 bytes)
3. 8CY.mol2 (5736 bytes)
4. 8CY.frcmod (4788 bytes)
5. bonded_pairs_5ujo.in (290 bytes)
Re: [AMBER] query regarding the restart file of molecular dynamics simulation Leena Aggarwal (Tue Oct 10 2017 - 06:47:19 PDT)
1. prod.in (281 bytes)
Re: [AMBER] query regarding the restart file of molecular dynamics simulation Leena Aggarwal (Tue Oct 10 2017 - 21:17:59 PDT)
1. heat.in (255 bytes)
2. equi.in (290 bytes)
Re: [AMBER] query regarding the restart file of molecular dynamics simulation Leena Aggarwal (Wed Oct 11 2017 - 21:24:17 PDT)
1. summary.ETOT (76530 bytes)
2. summary.PRES (56122 bytes)
3. summary.TEMP (61224 bytes)
Re: [AMBER] query regarding the restart file of molecular dynamics simulation Leena Aggarwal (Thu Oct 12 2017 - 02:00:28 PDT)
1. energy.jpg (42883 bytes)
2. temp.jpg (47317 bytes)
3. pressure.jpg (122939 bytes)
[AMBER] How to show double bond connection between N=O2 Rana Rehan Khalid (Sat Oct 14 2017 - 07:31:29 PDT)
1. --fe---NO.png (270786 bytes)
Re: [AMBER] query regarding the restart file of molecular dynamics simulation Leena Aggarwal (Sun Oct 15 2017 - 23:15:29 PDT)
1. prod12.out (2651 bytes)
[AMBER] RESP charges for a peptide-bound probe with R.E.D. Seth Axen (Mon Oct 16 2017 - 16:00:30 PDT)
1. scheme.gif (22304 bytes)
[AMBER] how we can visualized the bonds after saving on of the MD frame into pdb file. Rana Rehan Khalid (Thu Oct 19 2017 - 11:16:51 PDT)
1. after_9_nano_sec.png (238828 bytes)
2. 10-19_23-13-35.png (279926 bytes)
[AMBER] difficulty reading a frcmod file in amber Eugene Cha (Sun Oct 22 2017 - 23:41:42 PDT)
1. ggh.frcmod (1439 bytes)
Re: [AMBER] difficulty reading a frcmod file in amber Elvis Martis (Mon Oct 23 2017 - 02:24:27 PDT)
1. ggh.frcmod (1406 bytes)
[AMBER] Forecefield error Arthi Venkat (Tue Oct 24 2017 - 20:05:28 PDT)
1. amber_forcefields.png (184110 bytes)
[AMBER] STOP PMEMD Terminated Abnormally! Jeyaram R A (Thu Oct 26 2017 - 05:01:21 PDT)
1. eq1.in (296 bytes)
2. eq1.out (9836 bytes)
[AMBER] MM-PBSA calculation Mustafa Alhaji Isa (Fri Oct 27 2017 - 08:22:33 PDT)
1. mmpbsa.in (145 bytes)
[AMBER] Test failed after installing Amber Tools 17 Crystal Vander Zanden (Tue Oct 31 2017 - 13:18:24 PDT)
1. FINAL_RESULTS_MMPBSA_1.dat (14930 bytes)

Last message date: Tue Oct 31 2017 - 18:00:02 PDT
Archived on: Wed Dec 25 2024 - 05:55:36 PST

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