Amber Archive Oct 2015 by messages with attachments

580 messages: Starting Thu Oct 01 2015 - 02:00:03 PDT, Ending Sat Oct 31 2015 - 17:00:02 PDT
This period: Most recent messages
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[AMBER] Building a structure of levansucrase (1PT2) with a fructosyl residue attached to Asp86 Surasak Chunsrivirot (Thu Oct 01 2015 - 21:28:12 PDT)
1. asp86_attached_to_fructosyl_unit.png (2965 bytes)
[AMBER] Problem with VDW energy Brent Krueger (Fri Oct 02 2015 - 10:54:07 PDT)
1. image.png (31702 bytes)
Re: [AMBER] Building a structure of levansucrase (1PT2) with a fructosyl residue attached to Asp86 Surasak Chunsrivirot (Mon Oct 05 2015 - 00:53:49 PDT)
1. proposed_mechanism.png (122161 bytes)
Re: [AMBER] ^.^. as a new atom type when running DFTB with sander from Ambertools 15 Jonathan Sheehan (Mon Oct 05 2015 - 12:02:24 PDT)
1. atp_lig.noions.prmtop (32071 bytes)
[AMBER] h-bond calculation - tokenise error Sidhu, Khushwant (Dr.) (Fri Oct 09 2015 - 07:57:40 PDT)
1. image002.gif (3340 bytes)
[AMBER] Temperature fluctuations in stage heating Anitha Jagadesh (Mon Oct 12 2015 - 22:06:26 PDT)
1. summary.TEMP (23402 bytes)
[AMBER] tinker_to_amber does not work Sun (Wed Oct 14 2015 - 14:52:10 PDT)
1. Test.pdb (233407 bytes)
Re: [AMBER] tinker_to_amber does not work Jason Swails (Wed Oct 14 2015 - 18:09:23 PDT)
1. Test.pdb (233407 bytes)
[AMBER] Leap PDB Input Error Robert Molt (Fri Oct 16 2015 - 16:13:31 PDT)
1. start.pdb (71201 bytes)
2. after.pdb (69167 bytes)
[AMBER] [cpptraj] Changes in RMSF functionality? Juan Eiros Zamora (Mon Oct 19 2015 - 09:30:48 PDT)
1. rmsf_comparisons.png (7907 bytes)
Re: [AMBER] 12-6-4 LJ-type nonbonded model Fe(III)-M(II) Marcelo Andrade Chagas (Thu Oct 22 2015 - 08:37:28 PDT)
1. image.png (26837 bytes)
[AMBER] QM/MM Umbrella Mahmood Jasim (Fri Oct 23 2015 - 04:56:31 PDT)
1. image.png (18237 bytes)
2. image.png (5758 bytes)
[AMBER] (too) high absolute values for charges using resp and gaussian Jérémie Knoops (Tue Oct 27 2015 - 01:38:47 PDT)
1. GdPhenyl_resp.mol2 (2157 bytes)
2. bcc.mol2 (2156 bytes)
Re: [AMBER] QM/MM Umbrella Mahmood Jasim (Tue Oct 27 2015 - 05:05:38 PDT)
1. image.png (24038 bytes)