Amber Archive Feb 2017: by messages with attachments

Re: [AMBER] Fwd: Error during installation process Danu Fajar (Tue Jan 31 2017 - 19:28:45 PST)
1. 2.png (196751 bytes)
[AMBER] [MMPBSA.py.MPI] Two questions (autoimage and parsing of output) Eiros Zamora, Juan (Wed Feb 01 2017 - 05:09:02 PST)
1. image.png (4782 bytes)
Re: [AMBER] Amber16 installation error David Case (Thu Feb 02 2017 - 05:17:59 PST)
1. getopts.patch (692 bytes)
Re: [AMBER] Fwd: Error during installation process David Case (Thu Feb 02 2017 - 05:21:34 PST)
1. getopts.patch (692 bytes)
Re: [AMBER] MMPBSA error konda003 . (Mon Feb 06 2017 - 12:43:36 PST)
1. _MMPBSA_info (3151 bytes)
2. _MMPBSA_complex_pb.mdout.0 (126360 bytes)
3. mmpbsa.in (323 bytes)
4. FINAL.dat (6064 bytes)
Re: [AMBER] EPM2 Force field for CO2 Liyang Zhu (Mon Feb 06 2017 - 13:28:43 PST)
1. equil.out (65273 bytes)
2. equil.in (250 bytes)
[AMBER] production error. Saman Yousuf ali (Mon Feb 13 2017 - 21:37:46 PST)
1. complex-rmsd-dimer.png (7680 bytes)
[AMBER] MMPBSA error konda003 . (Thu Feb 16 2017 - 12:02:35 PST)
1. com.pdb (116114 bytes)
[AMBER] IERR CPU hang needing support please Curtis Walker (Thu Feb 16 2017 - 14:11:17 PST)
1. image003.png (7044 bytes)
Re: [AMBER] Creating a double bond in a pdb file with xleap Vaibhav Dixit (Thu Feb 16 2017 - 22:40:03 PST)
1. acid.mol2 (619 bytes)
2. acid.pdb (1283 bytes)
[AMBER] Fwd: SQM Error Mitul Srivastava (Tue Feb 21 2017 - 22:53:01 PST)
1. lig.pdb (1620 bytes)
2. lig_new.pdb (1760 bytes)
Re: [AMBER] Fwd: SQM Error Mitul Srivastava (Tue Feb 21 2017 - 23:52:04 PST)
1. comp_usp7_s0.pdb (204192 bytes)
2. comp_lowest.pdb (435203 bytes)
Re: [AMBER] Fwd: SQM Error Mitul Srivastava (Wed Feb 22 2017 - 00:00:22 PST)
1. lig.pdb (1620 bytes)
Re: [AMBER] Fwd: SQM Error Mitul Srivastava (Wed Feb 22 2017 - 00:28:48 PST)
1. sqm.out (4150 bytes)
[AMBER] Minimisation error and system blowup for a large protein using implicit solvent Joseph Salmon (Wed Feb 22 2017 - 06:54:03 PST)
1. model_min1.mdout (431209 bytes)
Re: [AMBER] Minimisation error and system blowup for a large protein using implicit solvent Joseph Salmon (Wed Feb 22 2017 - 10:37:16 PST)
1. model_min1.mdout (58719 bytes)
Re: [AMBER] antechamber warning Saman Yousuf ali (Wed Feb 22 2017 - 20:08:12 PST)
1. cocryst.pdb (3605 bytes)
2. chimera-edtd.pdb (4165 bytes)
3. NEWPDB.PDB (3380 bytes)
4. LYA.prepin (4629 bytes)
5. LYA.frcmod (1135 bytes)
Re: [AMBER] Segmentation fault when starting parmchk2 for a modified aminoacid residue Nikolay N. Kuzmich (Thu Feb 23 2017 - 06:49:01 PST)
1. Ser630_bound.prepin (2716 bytes)
2. Ser630_bound.mc (134 bytes)
3. Ser630_bound.ac (3892 bytes)
4. Ser630_bound.mol2 (3714 bytes)
Re: [AMBER] Segmentation fault when starting parmchk2 for a modified aminoacid residue Elvis Martis (Thu Feb 23 2017 - 08:35:11 PST)
1. sqm.in (1949 bytes)
2. sqm.out (11078 bytes)
3. sqm.pdb (1870 bytes)
4. trial.frcmod (368 bytes)
5. trial.prepin (2935 bytes)
Re: [AMBER] problems with heating Alicia Merlino (Thu Feb 23 2017 - 20:05:04 PST)
1. leap.log (254293 bytes)
Re: [AMBER] problems with heating Alicia Merlino (Thu Feb 23 2017 - 20:52:53 PST)
1. AAN14.frcmod (404 bytes)
2. AAN14.prepin (4551 bytes)
Re: [AMBER] Sander python API problem (?) Elisa Pieri (Fri Feb 24 2017 - 02:24:33 PST)
1. files.tgz (205247 bytes)
Re: [AMBER] Sander python API problem (?) Elisa Pieri (Fri Feb 24 2017 - 06:23:19 PST)
1. files.tgz (205247 bytes)
[AMBER] How to define a "Dihedral parameters" crossing a C-C triple bond? (Due to two fragment's interaction) Siwei Wang (Fri Feb 24 2017 - 18:32:11 PST)
1. 02-24_20:41:51.png (247206 bytes)
2. 02-24_20:42:18.png (83585 bytes)
[AMBER] cpptraj: dihcovar and projection need trajin to work properly? Thomas Fox (Tue Feb 28 2017 - 07:33:54 PST)
1. traj.dat10 (1816 bytes)
2. dihedrals.dat (4057 bytes)
3. 02_genEvecsPCA.cptin_notok (447 bytes)
4. 02_genEvecsPCA.cptin_ok (445 bytes)
5. out_notok (2474 bytes)
6. out_ok (4923 bytes)

Amber Archive Feb 2017 by messages with attachments