Amber Archive Apr 2009: by messages with attachments

[AMBER] Failure to compile amber9 serial ifort gcc Francesco Pietra (Wed Apr 01 2009 - 04:04:18 PDT)
1. make.out (461181 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] ptraj and namd charmm dcd Sandro L. Fornili (Wed Apr 01 2009 - 08:59:37 PDT)
1. trj.tgz (211192 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] FF Parameters Transformations ...? Marek Malý (Wed Apr 01 2009 - 10:29:26 PDT)
1. mol.prepin (2902 bytes)
2. mol.inpcrd (1286 bytes)
3. mol.frcmod (1168 bytes)
4. mol.pdb (3053 bytes)
5. mol.prmtop (20785 bytes)
6. attachment1653.txt (137 bytes)
7. mol02.jpg (17083 bytes)
8. mol01.jpg (16991 bytes)
9. ATT00002.txt (137 bytes)
[AMBER] please help me out bharat lakhani (Thu Apr 02 2009 - 03:13:48 PDT)
1. DRUG.pdb (1501 bytes)
2. ATT00002.txt (137 bytes)
Re: [AMBER] yacc parser Francesco Pietra (Thu Apr 02 2009 - 08:37:53 PDT)
1. make.out (461181 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] amber9 serial compilation issues Francesco Pietra (Fri Apr 03 2009 - 11:38:12 PDT)
1. make.clean.out (14340 bytes)
2. make.out (459890 bytes)
3. ATT00002.txt (137 bytes)
[AMBER] pmemd compilation/make failed - mkl_vml_service_threader_z_1i_c_1o Vijay Manickam Achari (Mon Apr 06 2009 - 00:27:24 PDT)
1. config.h (1564 bytes)
2. ATT00002.txt (137 bytes)
Re: Re: Re: [AMBER] sander.MPI parallel run problem Dechang Li (Mon Apr 06 2009 - 04:09:04 PDT)
1. ATT00002.txt (137 bytes)
[AMBER] testing RRR with antechamber Alan (Mon Apr 06 2009 - 05:10:27 PDT)
1. gRRR.mol2 (7647 bytes)
2. ATT00002.txt (137 bytes)
Re: [AMBER] TI production runs stop after a certain Step number Ilyas Yildirim (Tue Apr 07 2009 - 12:08:31 PDT)
1. ATT00002.txt (137 bytes)
Re: [AMBER] specification of antechamber AC file format? Nicholas Musolino (Tue Apr 07 2009 - 12:43:57 PDT)
1. orig916_ws.mol2 (3152 bytes)
2. ATT00003.txt (1262 bytes)
3. ATT00004.txt (137 bytes)
Re: [AMBER] pmemd compilation/makefailed-mkl_vml_service_threader_z_1i_c_1o Vijay Manickam Achari (Tue Apr 07 2009 - 23:27:46 PDT)
1. config.h (1348 bytes)
2. ATT00002.txt (137 bytes)
RE: [AMBER] Failures of tests Seetin, Matthew (Wed Apr 08 2009 - 08:57:27 PDT)
1. ATT00002.txt (137 bytes)
[AMBER] how to plot this kind of map? lnin_1431.sina.com (Thu Apr 09 2009 - 01:36:45 PDT)
1. 1.png (176177 bytes)
2. ATT00002.txt (137 bytes)
Re: [AMBER] how to plot this kind of map? Dechang Li (Thu Apr 09 2009 - 01:46:16 PDT)
1. ATT00002.txt (137 bytes)
[AMBER] antechamber problems Jia Xu (Thu Apr 09 2009 - 10:12:44 PDT)
1. m1.mol2 (5322 bytes)
2. ATT00002.txt (137 bytes)
Re: [AMBER] Sander and multiple residues Dan Kaps (Fri Apr 10 2009 - 05:56:53 PDT)
1. leap.log (13389 bytes)
2. ATT00002.txt (137 bytes)
Re: [AMBER] Sander and multiple residues Dan Kaps (Fri Apr 10 2009 - 08:01:08 PDT)
1. wWater.pdb (3548 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] ptraj (vector and corrplane) taufik.alsarraj.utoronto.ca (Fri Apr 10 2009 - 17:45:46 PDT)
1. 240ps.jpeg (31133 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] problem with explicit solvent in TMD balaji nagarajan (Mon Apr 13 2009 - 04:37:21 PDT)
1. Screenshot.png (112167 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] antechamber and wrong net charge with gasteiger method Alan (Tue Apr 14 2009 - 10:41:30 PDT)
1. agJJJ.pdb (2424 bytes)
2. agJJJ.mol2 (3632 bytes)
3. ATT00002.txt (137 bytes)
Re: [AMBER] specification of antechamber AC file format? Nicholas Musolino (Wed Apr 15 2009 - 15:07:32 PDT)
1. orig901.mol2 (1340 bytes)
2. ATT00003.txt (1270 bytes)
3. ATT00004.txt (137 bytes)
[AMBER] please help me out bharat lakhani (Wed Apr 15 2009 - 23:41:08 PDT)
1. 1CZM.pdb (214812 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] pmemd in amber10 - compile failed in HPC Vijay Manickam Achari (Thu Apr 16 2009 - 03:13:49 PDT)
1. amber10_pmemd_error.txt (3222 bytes)
2. config.h (1060 bytes)
3. ATT00002.txt (137 bytes)
[AMBER] 1-4 vdW, GB MM difference Jimmy Heimdal (Thu Apr 16 2009 - 04:57:01 PDT)
1. sander.in4 (399 bytes)
2. sander.in6 (399 bytes)
3. nowat.gz (56880 bytes)
4. nowat.gz (291320 bytes)
5. ATT00002.txt (137 bytes)
[AMBER] ambertools failed - SMP IA64 Vijay Manickam Achari (Thu Apr 16 2009 - 06:17:34 PDT)
1. config.h (2775 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail Marek Malý (Mon Apr 20 2009 - 04:52:36 PDT)
1. BoundMaltose.png (44780 bytes)
2. ATT00002.txt (137 bytes)
Re: Re: [AMBER] Backbone restraint Jackie. J. Shen (Mon Apr 20 2009 - 18:12:13 PDT)
1. ATT00002.txt (137 bytes)
Re: [AMBER] atom numbers Vikas Sharma (Tue Apr 21 2009 - 09:58:41 PDT)
1. 1.mol2 (5838 bytes)
2. lig.pdb (160299 bytes)
3. ATT00002.txt (137 bytes)
Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail Marek Malý (Tue Apr 21 2009 - 19:31:34 PDT)
1. DEN_MAL.png (76435 bytes)
2. ATT00002.txt (137 bytes)
RE: [AMBER] Problem with RNA hairpin unwinding in explicit water Seetin, Matthew (Wed Apr 22 2009 - 15:22:29 PDT)
1. ATT00002.txt (137 bytes)
Re: [AMBER] error in output file Hemant Kumar (Thu Apr 23 2009 - 05:20:25 PDT)
1. ATT00002.txt (137 bytes)
[AMBER] Amber Installation problem 주태성 (Thu Apr 23 2009 - 18:35:46 PDT)
1. TEST_FAILURES.diff (64773 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] Install 주태성 (Sun Apr 26 2009 - 06:45:45 PDT)
1. TEST_FAILURES.diff (64773 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] Mixing of forcefields in case of covaletly bonded systems Marek Malý (Mon Apr 27 2009 - 05:06:38 PDT)
1. DEN_MAL.png (79429 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] transport properties oguz gurbulak (Tue Apr 28 2009 - 07:11:05 PDT)
1. figure.bmp (39702 bytes)
2. ATT00002.txt (137 bytes)
RE: [AMBER] The PDB file was not recognized by Amber, what can i do? Houyang Chen (Tue Apr 28 2009 - 20:42:39 PDT)
1. Nanotube.pdb (16441 bytes)
2. ATT00002.txt (137 bytes)

Amber Archive Apr 2009 by messages with attachments