Amber Archive Jun 2020 by messages with attachments

[AMBER] What is happening in my Molecular Dynamics in the beginning of every 500 steps ? Erdem Yeler (Thu Jun 04 2020 - 08:34:26 PDT)
1. image.png (70688 bytes)
[AMBER] MCPB.py problem to make step 1 works Barak Alnami (Mon Jun 08 2020 - 04:19:56 PDT)
1. MD.pdb (10647 bytes)
2. MD2.pdb (5502 bytes)
3. GD.mol2 (271 bytes)
4. GD.pdb (480 bytes)
5. MD.in (122 bytes)
6. MD.pdb (7372 bytes)
7. UNL.frcmod (501 bytes)
8. UNL.mol2 (7244 bytes)
9. UNL.pdb (10166 bytes)
[AMBER] Steered MD with highly charged species Delwakkada Liyanage, Senal Dinuka (Tue Jun 09 2020 - 08:55:06 PDT)
1. PMF.10_100.25tps.jpg (152642 bytes)
[AMBER] Epot value in Amber TI output Eric Chen (Fri Jun 12 2020 - 10:24:20 PDT)
1. ti.PNG (15086 bytes)
2. energy.PNG (23373 bytes)
Re: [AMBER] help with building an amino acid based surfactant molecule Garcia, Mauro (Fri Jun 12 2020 - 11:08:54 PDT)
1. image001.png (54551 bytes)
2. ULV.png (308902 bytes)
3. Scenario_1.docx (179321 bytes)
4. Scenario_2.docx (179186 bytes)
[AMBER] Error while using Parmchk2 Sodiq Waheed (Tue Jun 16 2020 - 09:51:22 PDT)
1. SLN.mol2 (2402 bytes)
2. SLN.frcmod (2572 bytes)
[AMBER] Fwd: Error: Could not determine format of topology Jag Silwal (Wed Jun 17 2020 - 06:37:19 PDT)
1. crd.txt (45743 bytes)
2. top.txt (569566 bytes)
Re: [AMBER] planarity issue during md Sofia Vasilakaki (Thu Jun 18 2020 - 02:58:09 PDT)
1. min1.png (149322 bytes)
Re: [AMBER] Fwd: Error: Could not determine format of topology Jag Silwal (Fri Jun 19 2020 - 07:07:10 PDT)
1. act2.crd (45743 bytes)
2. act2.top (569566 bytes)
Re: [AMBER] Fwd: Error: Could not determine format of topology Daniel Roe (Fri Jun 19 2020 - 19:05:11 PDT)
1. top.witheol.txt (569568 bytes)
Re: [AMBER] Fwd: Error: Could not determine format of topology Jag Silwal (Mon Jun 22 2020 - 11:37:13 PDT)
1. act2.crd (569560 bytes)
Re: [AMBER] Fwd: Error: Could not determine format of topology Daniel Roe (Wed Jun 24 2020 - 05:33:12 PDT)
1. crd.witheol.crd.txt (45745 bytes)
[AMBER] Amber installation error ankita mehta (Wed Jun 24 2020 - 06:41:57 PDT)
1. Screenshot_1.jpg (364053 bytes)
[AMBER] restraint 10 kcal/mol Debarati DasGupta (Wed Jun 24 2020 - 11:35:38 PDT)
1. 69325509881B4669B6C8002DBD64F67B.png (42851 bytes)
[AMBER] Error in Antechamber Shreeramesh (Fri Jun 26 2020 - 07:38:55 PDT)
1. lig1.mol2 (3876 bytes)
[AMBER] Problems with RMSF calculations kartik.lakshmi.gmail.com (Fri Jun 26 2020 - 11:48:47 PDT)
1. comp_mean.png (414672 bytes)
Re: [AMBER] Positive MM-PBSA and negative MM-GBSA binding energies Nada Afiva (Fri Jun 26 2020 - 22:59:48 PDT)
1. inp1-a.dat (10622 bytes)
Re: [AMBER] Error in Antechamber Shreeramesh (Sat Jun 27 2020 - 05:10:53 PDT)
1. sqm.out (5692 bytes)
Re: [AMBER] Problems with RMSF calculations kartik.lakshmi.gmail.com (Sat Jun 27 2020 - 12:56:05 PDT)
1. RMSF.PNG (100159 bytes)
Re: [AMBER] Positive MM-PBSA and negative MM-GBSA binding energies Nada Afiva (Sun Jun 28 2020 - 05:04:44 PDT)
1. alltime-a.dat (10627 bytes)
Re: [AMBER] Positive MM-PBSA and negative MM-GBSA binding energies Nada Afiva (Sun Jun 28 2020 - 15:24:36 PDT)
1. alltime.dat (10627 bytes)
[AMBER] Error in Installing Amber 20 on GPU Suchetana Gupta (Mon Jun 29 2020 - 05:55:25 PDT)
1. SerialCudaTestErrorLog.log (62894 bytes)
2. GPU-Error1.docx (39955 bytes)
Re: [AMBER] Problems with RMSF calculations kartik.lakshmi.gmail.com (Mon Jun 29 2020 - 13:46:47 PDT)
1. rmsf_fomula.PNG (54224 bytes)

Last message date: Tue Jun 30 2020 - 13:30:03 PDT
Archived on: Wed Apr 17 2024 - 05:55:51 PDT

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