Amber Archive Dec 2017 by messages with attachments

274 messages: Starting Thu Nov 30 2017 - 15:30:02 PST, Ending Sun Dec 31 2017 - 07:30:02 PST
This period: Most recent messages
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Re: [AMBER] PF6- octahedral geometry change during equilibration!! Junmei Wang (Fri Dec 01 2017 - 09:29:41 PST)
1. PF6.png (54553 bytes)
2. PARMCHK.DAT (207 bytes)
3. PF6.prepi (858 bytes)
4. PF6.prmtop (9301 bytes)
5. PF6.prmcrd (267 bytes)
6. PF6.frcmod (982 bytes)
[AMBER] helix broken during minimization step Rana Rehan Khalid (Mon Dec 04 2017 - 06:52:34 PST)
1. first.png (259103 bytes)
2. second.png (224376 bytes)
[AMBER] generation of topology and coordinate for glycan Rajarshi Roy (Tue Dec 05 2017 - 20:56:41 PST)
1. x.pdb (3757 bytes)
Re: [AMBER] Modified amino acid Rajarshi Roy (Thu Dec 07 2017 - 05:25:20 PST)
1. csx.ac (1691 bytes)
2. csx.mc (136 bytes)
3. csx.prepin (1244 bytes)
4. CSX.cif (5212 bytes)
Re: [AMBER] Amber Protonate for H++ David A Case (Fri Dec 08 2017 - 06:14:58 PST)
1. protonate.tar.gz (18886 bytes)
Re: [AMBER] Possible concerns regarding future availability of cost effective NVIDIA GPU systems for running AMBER Scott Le Grand (Sat Dec 09 2017 - 11:35:18 PST)
1. sad2014.png (17035 bytes)
[AMBER] MCPB HEME Rana Rehan Khalid (Mon Dec 11 2017 - 03:00:11 PST)
1. mcbp.png (529920 bytes)
[AMBER] Fwd: Re: Error with installation, amber 17 on centos server Praneeth Bommisetti (Tue Dec 12 2017 - 10:05:54 PST)
1. 12-13_04-22-32.png (26451 bytes)
[AMBER] Several questions about Amber adaptive QM/MM MD. Mingyuan_xu (Mon Dec 18 2017 - 08:39:00 PST)
1. COO_PMF_20.parm7 (562750 bytes)
2. disZNC.in (108 bytes)
3. md_heat.rst (169976 bytes)
Re: [AMBER] PCA.CPPTRAJ Rana Rehan Khalid (Thu Dec 21 2017 - 04:36:13 PST)
1. pca.png (7948 bytes)
[AMBER] Which potential is used in TIP3P (How to calculate EPot by hand) Johannes Kalliauer (Wed Dec 27 2017 - 05:00:32 PST)
1. frcmod.tip3p (330 bytes)