Amber Archive Apr 2008 by messages with attachments

423 messages: Starting Fri Apr 18 2008 - 21:15:44 PDT, Ending Sun May 04 2008 - 06:07:15 PDT
This period: Most recent messages
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Re: AMBER: AMBER 9 testing Taufik Al-Sarraj (Wed Apr 02 2008 - 19:36:57 PDT)
1. taufik_alsarraj.vcf (362 bytes)
AMBER: artifacts in ptraj avg output stephane acoca (Sat Apr 05 2008 - 01:46:55 PDT)
1. 2PQK_protein_avg.pdb (162411 bytes)
AMBER: protein-ligand complex problem Lynn (Thu Apr 10 2008 - 15:51:32 PDT)
1. 2Fmo1.pdb (159658 bytes)
2. 2Fmo2.pdb (161852 bytes)
Re: AMBER: questions about run MD at different pH Taufik Al-Sarraj (Tue Apr 15 2008 - 09:15:28 PDT)
1. taufik_alsarraj.vcf (362 bytes)
Re: AMBER: questions about run MD at different pH Taufik Al-Sarraj (Tue Apr 15 2008 - 13:06:39 PDT)
1. taufik_alsarraj.vcf (362 bytes)
Re: AMBER: questions about run MD at different pH Taufik Al-Sarraj (Tue Apr 15 2008 - 15:47:10 PDT)
1. taufik_alsarraj.vcf (362 bytes)
Re: AMBER: hydrogens are flying in replica exchange simulations Ashish Sangwai (Mon Apr 21 2008 - 17:37:51 PDT)
1. 1a.prmtop (27540 bytes)
2. groupfile (308 bytes)
3. inp.440 (276 bytes)
4. inp.eq (254 bytes)
5. restrt0 (1836 bytes)
AMBER: Amber10 on Leopard with Intel compilers, "Undefined symbols" error Yu Chen (Wed Apr 23 2008 - 11:03:13 PDT)
1. config.h (3099 bytes)
2. config_amber.h (3435 bytes)
AMBER: saveamberparm taufik.alsarraj.utoronto.ca (Wed Apr 23 2008 - 17:34:02 PDT)
1. Simol2frominsight.mol2 (106071 bytes)
AMBER: Si parameters for MD (AMBER9) Taufik Al-Sarraj (Fri Apr 25 2008 - 15:08:44 PDT)
1. taufik_alsarraj.vcf (362 bytes)
Re: RE: AMBER: memory usage Ye Mei (Sun Apr 27 2008 - 07:52:42 PDT)
1. files.zip (138968 bytes)
Re: RE: RE: AMBER: memory usage Ye Mei (Mon Apr 28 2008 - 07:06:20 PDT)
1. config.h (892 bytes)
AMBER: Cysteine sulphonic acid parameters Rima Chaudhuri (Wed Apr 30 2008 - 15:48:42 PDT)
1. CYO.mol2 (1551 bytes)
2. plp_only_test.pdb (196865 bytes)