Amber Archive Dec 2006 by messages with attachments

336 messages: Starting Sun Dec 03 2006 - 06:07:40 PST, Ending Sun Dec 31 2006 - 06:07:50 PST
This period: Most recent messages
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AMBER: Ions analysis with hbond, How can I specify an input for hbond to probe ions interactions? j j (Fri Dec 01 2006 - 02:51:06 PST)
1. ptraj_test_OK.out (6456 bytes)
2. ptraj.in2 (479 bytes)
3. ptraj_mask.in (134 bytes)
4. ptraj_mask.out (5119 bytes)
5. ptraj_names.in (134 bytes)
6. ptraj_names.out (5029 bytes)
AMBER: sander error about fortran Shuting Wei (Fri Dec 01 2006 - 07:58:25 PST)
1. mm_pbsa_out.0.zip (6502 bytes)
Re: AMBER: Ions analysis with hbond, How can I specify an input for hbond to probe ions interactions? j j (Fri Dec 01 2006 - 12:28:24 PST)
1. ptraj_cheatman_radial.in (210 bytes)
2. ptraj_cheatman_radial.stdout (6818 bytes)
3. ptraj_cheatman_radial.sterr (966 bytes)
4. hbond4_.dat (726 bytes)
5. rdf_phosphate_standard.xmgr (2700 bytes)
6. rdf_phosphate_volume.xmgr (2700 bytes)
Re: AMBER: MM-PBSA problem vanessa wai (Sun Dec 03 2006 - 17:52:25 PST)
1. statistics.out (2125 bytes)
Re: AMBER: Ions analysis with hbond, How can I specify an input for hbond to probe ions interactions? j j (Mon Dec 04 2006 - 04:56:54 PST)
1. ptraj_cheatman_radial.in (204 bytes)
2. ptraj_cheatman_radial.stdout (7666 bytes)
3. ptraj_cheatman_radial.sterr (966 bytes)
4. hbond4_.dat (3288 bytes)
5. rdf_phosphate_standard.xmgr (2700 bytes)
6. rdf_phosphate_volume.xmgr (2700 bytes)
7. rdf_phosphate_carnal.xmgr (2673 bytes)
AMBER: Atom Type problem Steve Seibold (Fri Dec 08 2006 - 08:01:23 PST)
1. HIX.pdb (1409 bytes)
2. Modfrcmod2.all (4536 bytes)
3. HIX.lib.rename (3064 bytes)
AMBER: Atom Type problem Steve Seibold (Fri Dec 08 2006 - 08:04:29 PST)
1. HIX.pdb (1409 bytes)
2. Modfrcmod2.all (4536 bytes)
3. HIX.DOC (3064 bytes)
AMBER: Building Parameters Steve Seibold (Mon Dec 11 2006 - 13:29:15 PST)
1. Modfrcmod3.hemall (7814 bytes)
2. Check_Enzyme.rtf (10211 bytes)
AMBER: floating point assist faults on IA64 PMEMD 9 Jarrod Smith (Wed Dec 13 2006 - 10:42:06 PST)
1. ftz.sgi.txt (1283 bytes)
AMBER: Renumber residues in LEAP Akshay Patny (Tue Dec 19 2006 - 13:55:57 PST)
1. test.pdb (377590 bytes)
Re: AMBER: Installation help - SGI Altix 350 bertrand russell (Tue Dec 26 2006 - 00:25:10 PST)
1. compilatn_err (620 bytes)
2. mmtsb_err (201 bytes)
3. warnings (45153 bytes)
AMBER: bad connectivity - more detail Seth Lilavivat (Tue Dec 26 2006 - 10:02:27 PST)
1. bicycloRA.prepi (2802 bytes)
2. bicycloRA5.prepi (2656 bytes)
3. bicycloRA3.prepi (2802 bytes)
4. bicycloRU.prepi (2551 bytes)
5. bicycloRU3.prepi (2551 bytes)
6. bicycloRU5.prepi (2405 bytes)
7. AUseq-nosugar.pdb (17718 bytes)