Amber Archive Jun 2011 by messages with attachments

Re: [AMBER] AMBER11 Installation on FEDORA 15 Daniel Roe (Tue May 31 2011 - 21:14:07 PDT)
1. io.c (29865 bytes)
Re: [AMBER] Where to send patches? Ake Sandgren (Wed Jun 01 2011 - 01:45:29 PDT)
1. patches-4.5.4.tar (10240 bytes)
Re: [AMBER] Sorry again..this is right Daniel Roe (Wed Jun 01 2011 - 07:02:11 PDT)
1. E.jpg (30258 bytes)
[AMBER] CHAMBER and making PDB files Seibold, Stephen (Wed Jun 01 2011 - 10:34:55 PDT)
1. gammaModelMD1.pdb.1.gz (84316 bytes)
2. Makepdb.log.gz (1025 bytes)
[AMBER] AmberTools 1.5 installation problem Siavoush Dastmalchi (Thu Jun 02 2011 - 04:22:42 PDT)
1. 06-01_04-34-36.log (75352 bytes)
2. 06-01_04-34-36.diff (15419 bytes)
Re: [AMBER] AmberTools 1.5 installation problem Siavoush Dastmalchi (Thu Jun 02 2011 - 08:21:16 PDT)
1. winmail.dat (6116 bytes)
Re: [AMBER] AmberTools 1.5 installation problem Siavoush Dastmalchi (Thu Jun 02 2011 - 09:02:02 PDT)
1. winmail.dat (4480 bytes)
Re: [AMBER] AmberTools 1.5 installation problem Siavoush Dastmalchi (Thu Jun 02 2011 - 10:39:56 PDT)
1. winmail.dat (4984 bytes)
Re: [AMBER] ptraj error with *** glibc detected *** ptraj: free(): invalid next size (normal) Bongkeun Kim (Tue Jun 07 2011 - 14:29:46 PDT)
1. beta2.pdb (16625 bytes)
[AMBER] SANDER BOMB Xioling Chuang (Thu Jun 09 2011 - 07:41:29 PDT)
1. md.out (7749 bytes)
Re: [AMBER] ptraj error with *** glibc detected *** ptraj: free(): invalid next size (normal) Bongkeun Kim (Thu Jun 09 2011 - 10:14:33 PDT)
1. beta.prmtop (104175 bytes)
Re: [AMBER] problems ahout simulating a molecular crystal hanlu0366 (Fri Jun 10 2011 - 00:11:13 PDT)
1. supercell_5104.TXT (730085 bytes)
Re: [AMBER] format error from mmpbsa.py Jason Swails (Sat Jun 11 2011 - 20:02:20 PDT)
1. readparm.py (44757 bytes)
[AMBER] About "Must have more residues than processors" Bin Wu (Sun Jun 12 2011 - 13:35:04 PDT)
1. DenG3_modified.pdb (92306 bytes)
2. DenG3.pdb (91836 bytes)
3. DenG3.prmtop (411213 bytes)
Re: [AMBER] Negative value of SASA calculated by surf command in cpptraj kurisaki (Sun Jun 12 2011 - 19:49:30 PDT)
1. check.prmtop (734838 bytes)
2. checkSurf.txt (253 bytes)
3. checkSurf_noMLA.txt (253 bytes)
4. checkTrajOneSnapshot.mdcrd (46447 bytes)
5. surf_test.sh (497 bytes)
6. surf_test_noMLA.sh (531 bytes)
[AMBER] Problem related to the residue template and add ion Sindrila Dutta banik (Mon Jun 13 2011 - 09:01:36 PDT)
1. prep.png (560223 bytes)
Re: [AMBER] loadPdbUsingSeq command Antonija Tomić (Tue Jun 14 2011 - 05:47:26 PDT)
1. molecule.pdb (188262 bytes)
Re: [AMBER] Interpreting the distance covariance matrix Sajeewa Pemasinghe (Tue Jun 14 2011 - 15:35:07 PDT)
1. distAS1AS2.dat (373759 bytes)
2. distAS1AS2.xlsx (247114 bytes)
[AMBER] Parallel compilation of AmberTools1.5 failed Xioling Chuang (Tue Jun 14 2011 - 20:24:28 PDT)
1. parallel.txt.gz (1453 bytes)
[AMBER] MPI_ABORT errorcode 1 for sander.MPI Erin Kelly (Wed Jun 15 2011 - 11:44:37 PDT)
1. BATCH_ERRORS (1837 bytes)
2. prod.in (213 bytes)
3. 3OGP_prod.out (2768 bytes)
4. prod1 (1047 bytes)
[AMBER] Methane with no surface area? Christoph Klein (Wed Jun 15 2011 - 12:45:39 PDT)
1. attachments.zip (4084 bytes)
[AMBER] MPI_ABORT errorcode 1 sander Erin Kelly (Wed Jun 15 2011 - 12:58:40 PDT)
1. 3OGP_prod.out (2768 bytes)
2. prod.in (213 bytes)
3. prod1 (1047 bytes)
[AMBER] About difference between Sander and Pmemd Bin Wu (Wed Jun 15 2011 - 19:54:38 PDT)
1. DenG3.prmtop (411213 bytes)
2. DenG3.inpcrd (39869 bytes)
3. eq.in (184 bytes)
Re: [AMBER] amber10 output Ben Roberts (Thu Jun 16 2011 - 14:48:08 PDT)
1. smime.p7s (2670 bytes)
[AMBER] sleap never worked anymore since AT 1.2 Alan (Fri Jun 17 2011 - 01:45:01 PDT)
1. dmp.pdb (12945 bytes)
2. sleap.in (199 bytes)
[AMBER] Energy decomposition Guenegou, Guillaume [ORDFR] (Fri Jun 17 2011 - 06:25:56 PDT)
1. mmpbsa.tmp (14376 bytes)
2. mmpbsa.in (14670 bytes)
[AMBER] Resp charge Takeshi Baba (Sat Jun 18 2011 - 01:18:51 PDT)
1. PO.log (401849 bytes)
Re: [AMBER] AmberTools 1.5 gnu compilation fails under FC15 Ben Roberts (Mon Jun 20 2011 - 13:12:14 PDT)
1. smime.p7s (2670 bytes)
[AMBER] restraints file Massimiliano Porrini (Tue Jun 21 2011 - 08:51:51 PDT)
1. restraints.dat (27887 bytes)
[AMBER] regarding per residue wise free energy decomposition Hirdesh Kumar (Tue Jun 21 2011 - 21:57:05 PDT)
1. 7pc.out (546754 bytes)
2. decomp.mmpbsa (10111 bytes)
Re: [AMBER] Sirius software CHAMI F. (Wed Jun 22 2011 - 03:11:58 PDT)
1. 06-22_at_10.57.30.png (293521 bytes)
[AMBER] AMBER 11 and Ambertools 1.5 Installs failing tests for mmpbsa_py Maria (Wed Jun 22 2011 - 14:18:47 PDT)
1. test_amber11.diff (91640 bytes)
2. test_amber11.log (72892 bytes)
3. test_ambertools.diff (827 bytes)
4. test_ambertools.log (74872 bytes)
5. amber11diffs.zip (3269 bytes)
6. postAmber.diff (2746 bytes)
7. postAmber.log (76047 bytes)
Re: [AMBER] regarding per residue wise free energy decomposition Hirdesh Kumar (Fri Jun 24 2011 - 00:59:30 PDT)
1. 7PC_decomp.log (34716 bytes)
[AMBER] Prevent tleap to rearrange my ions? chicago.ecnu (Sun Jun 26 2011 - 03:18:13 PDT)
1. 26-17-49-10_.jpg (7279 bytes)
Re: [AMBER] Steered Molecular Dynamics George Tzotzos (Mon Jun 27 2011 - 13:40:14 PDT)
1. smd.out (8766 bytes)
Re: [AMBER] Steered Molecular Dynamics George Tzotzos (Mon Jun 27 2011 - 14:14:39 PDT)
1. smd.out (9486 bytes)
[AMBER] query with multocomponent system kaustubh joshi (Tue Jun 28 2011 - 07:49:29 PDT)
1. molecule2.pdb (1255 bytes)
2. amine.pdb (1303 bytes)
3. nitrile.pdb (1142 bytes)
4. mol.lib.doc (105984 bytes)
[AMBER] dist restraint e p (Wed Jun 29 2011 - 06:08:00 PDT)
1. mdin (297 bytes)
2. dist.RST (798 bytes)
3. mdout (7710 bytes)
Re: [AMBER] Non-Standard Residues Problems Ben Roberts (Wed Jun 29 2011 - 10:50:25 PDT)
1. smime.p7s (2670 bytes)
[AMBER] Fwd: najmul arfin (Thu Jun 30 2011 - 22:21:32 PDT)
1. md1.in (373 bytes)
2. md2.in (288 bytes)
3. mix_min1.in (143 bytes)
4. mix_min2.in (198 bytes)
5. xleap.log (114476 bytes)

Last message date: Fri Jul 01 2011 - 02:00:03 PDT
Archived on: Fri Nov 22 2024 - 05:54:17 PST

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