Amber Archive Apr 2022: by author

ABEL Stephane
- Re: [AMBER] Announcing new Fast AF MD in Amber (Fri Apr 01 2022 - 09:06:40 PDT)
aishen
- Re: [AMBER] How to get and install latest CPPTRAJ (Fri Apr 29 2022 - 23:42:02 PDT)
Aki
- Re: [AMBER] FEW FILES DISTRIBUTION (Tue Apr 05 2022 - 08:45:22 PDT)
- [AMBER] FEW FILES DISTRIBUTION (Mon Apr 04 2022 - 09:48:16 PDT)
Artur Hermano
- Re: [AMBER] Barostat not working (?) (Sun Apr 10 2022 - 13:11:35 PDT)
- Re: [AMBER] Barostat not working (?) (Sun Apr 10 2022 - 08:26:04 PDT)
- [AMBER] Barostat not working (?) (Fri Apr 08 2022 - 13:46:41 PDT)
Boris Gomaz
- [AMBER] Centering structure in box (Wed Apr 06 2022 - 06:56:44 PDT)
Carlos Simmerling
- Re: [AMBER] REMD (Wed Apr 13 2022 - 06:54:30 PDT)
- Re: [AMBER] Script starts but then stops w/o error message (Mon Apr 11 2022 - 05:20:08 PDT)
- Re: [AMBER] Barostat not working (?) (Fri Apr 08 2022 - 14:27:59 PDT)
Charlotta Lebedenko
- Re: [AMBER] CUDART lib not found during install (Wed Apr 06 2022 - 12:48:26 PDT)
- Re: [AMBER] CUDART lib not found during install (Mon Apr 04 2022 - 12:24:43 PDT)
Daniel Roe
- Re: [AMBER] Ubuntu 20.4 make install error? "Error: bad value (‘tigerlake’) for ‘-mtune=’ switch" (Sat Apr 09 2022 - 14:07:34 PDT)
- Re: [AMBER] Imaging issue in DNA with cations - cpptraj (Fri Apr 08 2022 - 07:10:23 PDT)
- Re: [AMBER] cpptraj unable to strip/save topology and trajectory (Thu Apr 07 2022 - 05:23:23 PDT)
- Re: [AMBER] CUDART lib not found during install (Wed Apr 06 2022 - 07:22:10 PDT)
- Re: [AMBER] Centering structure in box (Wed Apr 06 2022 - 07:12:41 PDT)
- Re: [AMBER] Imaging issue in DNA with cations - cpptraj (Wed Apr 06 2022 - 06:47:51 PDT)
- Re: [AMBER] Water bridge formed between protein and ligand (Wed Apr 06 2022 - 06:43:34 PDT)
- Re: [AMBER] Water bridge formed between protein and ligand (Mon Apr 04 2022 - 07:25:54 PDT)
David A Case
- Re: [AMBER] QM restrains (Fri Apr 29 2022 - 18:53:42 PDT)
- [AMBER] Release of Amber22 and AmberTools22 (Thu Apr 28 2022 - 04:16:50 PDT)
- Re: [AMBER] Regarding metal cofactor replacement (Sat Apr 16 2022 - 04:53:03 PDT)
- Re: [AMBER] Amber 20 / AmberTools 21 on Centos 9 / Cmake Error (Mon Apr 11 2022 - 10:51:37 PDT)
- Re: [AMBER] Script starts but then stops w/o error message (Mon Apr 11 2022 - 10:28:02 PDT)
- Re: [AMBER] Output forces or gradients in sqm (Fri Apr 08 2022 - 06:35:02 PDT)
- Re: [AMBER] Adapting AMBER parameters to Gaussian16 input (Thu Apr 07 2022 - 09:58:36 PDT)
- Re: [AMBER] Error during production run - AMBER20 (Thu Apr 07 2022 - 03:53:56 PDT)
- Re: [AMBER] Amber20 installation on Ubuntu 21.10 (Wed Apr 06 2022 - 18:55:24 PDT)
- Re: [AMBER] Query regarding format issue of prepc and frcmod (Wed Apr 06 2022 - 18:44:57 PDT)
- Re: [AMBER] Using amber force field in NAMD (Wed Apr 06 2022 - 05:52:42 PDT)
- Re: [AMBER] PySander availability in PyTraj (Tue Apr 05 2022 - 11:42:48 PDT)
- Re: [AMBER] PySander availability in PyTraj (Tue Apr 05 2022 - 06:31:15 PDT)
- Re: [AMBER] WSL2 failing at netcdf configure step (Tue Apr 05 2022 - 06:15:46 PDT)
- Re: [AMBER] MMPBSA.py.MPI and pytraj bugs (Sat Apr 02 2022 - 06:47:56 PDT)
- Re: [AMBER] Pd (palladium not "pd" for p) lost bonds after minimization and seem as "P" atom (Fri Apr 01 2022 - 05:18:09 PDT)
David Cerutti
- Re: [AMBER] MDGX Error Problem with Recognizing Torsion Type (Tue Apr 05 2022 - 17:08:22 PDT)
- Re: [AMBER] MDGX Error Problem with Recognizing Torsion Type (Tue Apr 05 2022 - 16:15:42 PDT)
David Poole
- [AMBER] PySander availability in PyTraj (Sat Apr 02 2022 - 17:52:10 PDT)
Dr. Anselm Horn
- Re: [AMBER] Imaging issue in DNA with cations - cpptraj (Wed Apr 06 2022 - 06:35:08 PDT)
- Re: [AMBER] Query regarding format issue of prepc and frcmod (Wed Apr 06 2022 - 06:21:21 PDT)
Eken, Yigitcan
- [AMBER] MDGX Error Problem with Recognizing Torsion Type (Fri Apr 01 2022 - 12:13:16 PDT)
Erdem Yeler
- Re: [AMBER] Fitting RESP charges to carbocations, Antechamber warns "bond-type" wrong. (Thu Apr 14 2022 - 15:27:55 PDT)
- Re: [AMBER] Adapting AMBER parameters to Gaussian16 input (Thu Apr 07 2022 - 10:29:47 PDT)
- Re: [AMBER] MDGX Error Problem with Recognizing Torsion Type (Fri Apr 01 2022 - 21:19:21 PDT)
- Re: [AMBER] Pd (palladium not "pd" for p) lost bonds after minimization and seem as "P" atom (Fri Apr 01 2022 - 06:28:30 PDT)
- Re: [AMBER] Pd (palladium not "pd" for p) lost bonds after minimization and seem as "P" atom (Fri Apr 01 2022 - 02:18:16 PDT)
- [AMBER] Pd (palladium not "pd" for p) lost bonds after minimization and seem as "P" atom (Fri Apr 01 2022 - 02:17:04 PDT)
Erik Zuiderweg
- Re: [AMBER] Script starts but then stops w/o error message (Mon Apr 11 2022 - 15:55:21 PDT)
- [AMBER] Script starts but then stops w/o error message (Sun Apr 10 2022 - 13:35:21 PDT)
Fabian Glaser
- Re: [AMBER] A5000 vs 2080 Ti (Tue Apr 05 2022 - 22:50:23 PDT)
- [AMBER] A5000 vs 2080 Ti (Tue Apr 05 2022 - 06:25:34 PDT)
Feng Su
- Re: [AMBER] problem with using amber (Wed Apr 06 2022 - 17:52:16 PDT)
Gerald Keller
- [AMBER] Compiling Amber18 on Scientific Linux 7.7 (CentOS 7) with gcc-7.5.0 and cuda-10.0 / cuda-11.4 (Tue Apr 26 2022 - 00:18:20 PDT)
Giorgos Lambrinidis
- [AMBER] Amber 20 / AmberTools 21 on Centos 9 / Cmake Error (Mon Apr 11 2022 - 08:55:46 PDT)
Hai Nguyen
- Re: [AMBER] PySander availability in PyTraj (Tue Apr 05 2022 - 12:50:57 PDT)
- Re: [AMBER] PySander availability in PyTraj (Sat Apr 02 2022 - 19:39:07 PDT)
- Re: [AMBER] MMPBSA.py.MPI and pytraj bugs (Sat Apr 02 2022 - 19:26:49 PDT)
- Re: [AMBER] PySander availability in PyTraj (Sat Apr 02 2022 - 19:24:50 PDT)
Hamed S. Hayatshahi
- Re: [AMBER] Amber20 installation on Ubuntu 21.10 (Fri Apr 08 2022 - 12:52:26 PDT)
- [AMBER] Amber20 installation on Ubuntu 21.10 (Wed Apr 06 2022 - 10:09:55 PDT)
Hrishikesh Dhondge
- Re: [AMBER] Using amber force field in NAMD (Wed Apr 06 2022 - 05:59:47 PDT)
- [AMBER] Using amber force field in NAMD (Wed Apr 06 2022 - 03:03:43 PDT)
Jason Hogrefe
- Re: [AMBER] A5000 vs 2080 Ti (Tue Apr 05 2022 - 11:57:40 PDT)
Jason Swails
- Re: [AMBER] What atom is atom type C1, C2 and C3 (Fri Apr 08 2022 - 06:35:49 PDT)
- Re: [AMBER] mmpbsa divalent ion bug (Sat Apr 02 2022 - 05:26:16 PDT)
- Re: [AMBER] PySander availability in PyTraj (Fri Apr 01 2022 - 15:12:00 PDT)
- [AMBER] Announcing new Fast AF MD in Amber (Fri Apr 01 2022 - 03:59:12 PDT)
Jinzhe Zeng
- [AMBER] Output forces or gradients in sqm (Thu Apr 07 2022 - 14:16:33 PDT)
Juliette Newell
- [AMBER] REMD (Wed Apr 13 2022 - 02:01:14 PDT)
keerthi vaasan
- [AMBER] QM+cutoff larger than box error -Qm/Mm simulation (Sat Apr 16 2022 - 05:41:32 PDT)
Kovács Richárd Dezső
- [AMBER] Fitting RESP charges to carbocations, Antechamber warns "bond-type" wrong. (Wed Apr 13 2022 - 08:23:01 PDT)
- Re: [AMBER] Adapting AMBER parameters to Gaussian16 input (Sun Apr 10 2022 - 20:13:49 PDT)
- [AMBER] Adapting AMBER parameters to Gaussian16 input (Thu Apr 07 2022 - 07:36:14 PDT)
Kristoffer Lundgren
- [AMBER] pysander and external QM (Fri Apr 08 2022 - 07:25:05 PDT)
Lara rajam
- [AMBER] Reg: Modified LYS - Trimethylated (Mon Apr 11 2022 - 12:23:52 PDT)
Matias Machado
- Re: [AMBER] Announcing new Fast AF MD in Amber (Fri Apr 01 2022 - 09:37:37 PDT)
- Re: [AMBER] Announcing new Fast AF MD in Amber (Fri Apr 01 2022 - 08:53:58 PDT)
Matthew Guberman-Pfeffer
- Re: [AMBER] {SPAM?} Re: CPPTRAJ, how to write first solvent shell trajectory (Sat Apr 09 2022 - 18:26:17 PDT)
- [AMBER] CPPTRAJ, how to write first solvent shell trajectory (Sat Apr 09 2022 - 02:59:05 PDT)
- Re: [AMBER] Adapting AMBER parameters to Gaussian16 input (Thu Apr 07 2022 - 10:34:52 PDT)
Matthew Noto
- Re: [AMBER] Ubuntu 20.4 make install error? "Error: bad value (‘tigerlake’) for ‘-mtune=’ switch" (Sat Apr 09 2022 - 14:33:19 PDT)
- [AMBER] Ubuntu 20.4 make install error? "Error: bad value (‘tigerlake’) for ‘-mtune=’ switch" (Sat Apr 09 2022 - 13:04:10 PDT)
Maximilian Ebert
- Re: [AMBER] What atom is atom type C1, C2 and C3 (Fri Apr 08 2022 - 17:01:12 PDT)
- [AMBER] What atom is atom type C1, C2 and C3 (Thu Apr 07 2022 - 13:29:36 PDT)
Neale, Christopher Andrew
- [AMBER] AMBER 18 and A100? (Tue Apr 05 2022 - 11:38:36 PDT)
Ray Luo
- Re: [AMBER] MMPBSA module error (Tue Apr 19 2022 - 16:55:43 PDT)
- Re: [AMBER] MMPBSA module error (Sat Apr 16 2022 - 07:58:45 PDT)
- Re: [AMBER] MMPBSA.py PB calculation not working (Fri Apr 08 2022 - 20:18:54 PDT)
- Re: [AMBER] MMPBSA.py PB calculation not working (Wed Apr 06 2022 - 10:13:25 PDT)
- Re: [AMBER] MMPBSA.py PB calculation not working (Tue Apr 05 2022 - 11:42:37 PDT)
- Re: [AMBER] MMPBSA.py PB calculation not working (Mon Apr 04 2022 - 08:33:16 PDT)
Richard Kullmann
- Re: [AMBER] MMPBSA.py PB calculation not working (Wed Apr 06 2022 - 02:44:57 PDT)
- Re: [AMBER] MMPBSA.py PB calculation not working (Tue Apr 05 2022 - 08:38:16 PDT)
- [AMBER] MMPBSA.py PB calculation not working (Mon Apr 04 2022 - 03:01:24 PDT)
rsaha.icredd.hokudai.ac.jp
- [AMBER] Problem in forcefield generation for polymer with two bond connection between the monomers (Thu Apr 21 2022 - 23:58:11 PDT)
- Re: [AMBER] Amber force field for polymers (Thu Apr 14 2022 - 18:23:02 PDT)
- [AMBER] Amber force field for polymers (Sun Apr 10 2022 - 20:00:29 PDT)
Ryan Pavlovicz
- Re: [AMBER] MMPBSA module error (Tue Apr 19 2022 - 10:15:28 PDT)
Saikat Pal
- Re: [AMBER] Query regarding format issue of prepc and frcmod (Wed Apr 06 2022 - 08:43:46 PDT)
- [AMBER] Query regarding format issue of prepc and frcmod (Tue Apr 05 2022 - 10:07:03 PDT)
Sathyaseelan C
- [AMBER] Error during production run - AMBER20 (Wed Apr 06 2022 - 20:42:57 PDT)
- [AMBER] Imaging issue in DNA with cations - cpptraj (Wed Apr 06 2022 - 01:06:40 PDT)
Scott Brozell
- Re: [AMBER] Announcing new Fast AF MD in Amber (Fri Apr 01 2022 - 09:27:47 PDT)
Shakuntala Dhurua
- Re: [AMBER] Water bridge formed between protein and ligand (Wed Apr 06 2022 - 03:11:20 PDT)
- Re: [AMBER] Water bridge formed between protein and ligand (Mon Apr 04 2022 - 10:23:40 PDT)
- [AMBER] Water bridge formed between protein and ligand (Mon Apr 04 2022 - 06:38:53 PDT)
Sruthi Sudhakar
- Re: [AMBER] Regarding metal cofactor replacement (Sat Apr 16 2022 - 05:11:28 PDT)
- [AMBER] Regarding metal cofactor replacement (Sat Apr 16 2022 - 04:42:51 PDT)
Stephan Schott
- Re: [AMBER] A5000 vs 2080 Ti (Tue Apr 05 2022 - 07:42:42 PDT)
Suitian Lai
- [AMBER] P-O-P angle of pyrophosphoric acid becomes 180 degree after being optimized by sander with DFTB (Thu Apr 21 2022 - 20:13:08 PDT)
Vaibhav Dixit
- Re: [AMBER] cpptraj unable to strip/save topology and trajectory (Fri Apr 08 2022 - 00:22:38 PDT)
- [AMBER] cpptraj unable to strip/save topology and trajectory (Wed Apr 06 2022 - 20:46:30 PDT)
Vinicius Wilian Cruzeiro
- Re: [AMBER] AMBER/TeraChem interface (Fri Apr 15 2022 - 08:53:05 PDT)
Vlad Cojocaru
- Re: [AMBER] Using amber force field in NAMD (Wed Apr 06 2022 - 05:06:49 PDT)
İmren Bayıl
- [AMBER] Segmentation fault (core dumped) amber Tleap (Sat Apr 23 2022 - 22:02:15 PDT)

Amber Archive Apr 2022 by author