NAMD-L: By Author
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Starting: Mon Sep 08 2003 - 09:54:14 CDT
Ending: Sat Nov 07 2009 - 03:09:56 CST
- $B:,>k(J $B6Q(J
- 13200178 Hendra Tampang Allo
- \
- _at_huji.ac.il
- A D
- a-yermakova_at_northwestern.edu
- A. Ozlem T. Bishop
- Aaron Mccall
- Aaron Oakley
- abhijit ramachandran
- accomp lin
- Achani K. Yatawara
- Achani.K.Yatawara_at_Dartmouth.edu
- Adam Fraser
- Adam Kubach
- Adam Sosa
- Adilah Hussein
- Adilah Hussien
- Adrian Wiley
- Agostino
- ahenneck_at_ix.urz.uni-heidelberg.de
- Ahlam Al-Rawi
- Ahmad Firoz
- Ahmet Bakan
- aida_at_mit.edu
- akash.khandelwal_at_ndsu.edu
- Al-Rawi, Ahlam
- Alberto Santana
- Alejandro Ortega
- Aleksei Aksimentiev
- Alemayehu Gorfe Abebe
- Alessandro Cembran
- Alessandro Nascimento
- Alessandro Pedretti
- alessandro.pedretti_at_unimi.it
- alessandro.venturelli_at_univr.it
- Alessio Alexiadis
- alex digenova bravo
- Alex Huang
- Alex V.
- Alex Vakhrouchev
- Alexander A. Vakhrushev
- Alexander Vaughn
- Alexandre A. Vakhrouchev
- Q=D4=D7=C5=D4:__128+_proccessor_jobs_on_64bit_?= Widows hang upon completion of the simulation. (Mon Jul 30 2007 - 04:20:41 CDT)
- Alexandre Chauvin
- Alexandre F. G.
- Alexandre Vakhrouchev
- Alexe Bojovschi
- Alexis Salas
- ali alizadeh
- Ali Emileh
- Re: 2.7b metadynamics ::alpha module :: folding of a single helix in water (Wed Jul 22 2009 - 21:18:11 CDT)
- Re: 2.7b metadynamics ::hBond component :: folding of a single helix in water (Mon Jun 22 2009 - 14:23:57 CDT)
- Re: 2.7b metadynamics ::alpha module :: folding of a single helix in water (Tue Jun 09 2009 - 18:02:12 CDT)
- Re: 2.7b metadynamics ::alpha module :: folding of a single helix in water (Tue Jun 09 2009 - 11:52:19 CDT)
- Allan Haldane
- Allen Chen
- allison
- Allison Chan
- Allison Heath
- Allison Langham
- Alok Juneja
- alsalazar_at_northwestern.edu
- Alvaro Foletti
- Amanda Chase
- Amanda Pearson
- Amarda Shehu
- Ambrish
- Amin R. Mazloom
- Amir Shamloo
- amit dong
- Amit Paliwal
- amodzelewska_at_dns.iimcb.gov.pl
- Amr Zeinalabideen Majul
- Amy Mccormick
- Ana Celia Araujo Vila Verde
- problems running more than 9 Replicas in replica exchange simulations (Sun Feb 04 2007 - 14:33:41 CST)
- problems running Replica Exchange simulations using SSH to spawn the processes (Thu Feb 01 2007 - 13:28:06 CST)
- Ana Vila Verde
- Anahita Tafvizi
- Andersen, Kim Vilbour (KVA)
- andrea carotti
- Andrea Cristiani
- Andrea Diaz
- Andrei Istomin
- Andres Morales N
- Andrew D. Fant
- Andrew Emerson
- Andrew Fant
- Andrew Thomas
- Andriy Volynets
- ANDY NG
- Andy Shelley
- andy.mastellone_at_alice.it
- Angel Gonzalez Wong
- Angelo R. Rossi
- Angelo Rossi
- Anirban
- Anirban Ghosh
- Anna Blice-Baum
- Anna Modzelewska
- Annalisa Marsico
- Anneta Tzampazi
- Anshu Bhatia
- Anton Arkhipov
- Anupam Nath Jha
- Anuradha Mittal
- apw397_at_soton.ac.uk
- arajan_at_ks.uiuc.edu
- Arieana Moore
- arijit_r_at_chem.iitkgp.ernet.in
- Ariovaldo de Souza Junior
- Armen Nalian
- Armen Poghosyan
- Arneh Babakhani
- Artem Zhmurov
- Arturas Ziemys
- Arun Krishnan
- ashwin joshi
- Athanassios Stavrakoudis
- Audrey Salazar
- Aurum Bai
- Austin B. Yongye
- Axel Kohlmeyer
- Re: questions regarding new single node box for NAMD: re components, CUDA, Fermi (Mon Oct 05 2009 - 02:01:47 CDT)
- Re: questions regarding new single node box for NAMD: re components, CUDA, Fermi (Fri Oct 02 2009 - 12:51:26 CDT)
- RE: questions regarding new single node box for NAMD: re components, CUDA, Fermi (Fri Oct 02 2009 - 12:57:39 CDT)
- Re: CUDA-accelerated NAMD does not support NBFIX parameters [RESOLVED] (Mon Sep 14 2009 - 15:57:12 CDT)
- Re: Constraint failure in RATTLE algorithm - shouldn't a rerun fail at the same step? (Wed Sep 09 2009 - 09:51:42 CDT)
- Re: Cuda benchmarks namd2.7b1 - effects of configuration parameters and hardware. (Sun Aug 30 2009 - 15:33:08 CDT)
- Re: Re: namd2.7b1 slower with openmpi 1.3.2 than namd2.6 withopenmpi 1.2.6 (Sun Jul 05 2009 - 11:38:37 CDT)
- Re: namd2.7b1 slower with openmpi 1.3.2 than namd2.6 with openmpi 1.2.6 (Fri Jul 03 2009 - 13:42:08 CDT)
- GPGPU Programming summer school at University of Tennessee, Aug 10-14. (Mon Jun 29 2009 - 14:43:11 CDT)
- Re: Can I use another solvent rather than TI3P model in namd for MD simulations ? (Mon Jun 29 2009 - 08:32:30 CDT)
- Re: collective variable space PMF, including biasing potential terms? (Wed May 13 2009 - 17:52:30 CDT)
- Re: I can't keep my pulling directions the same with the SMD vector (Tue Apr 21 2009 - 07:27:50 CDT)
- Re: I can't keep my pulling directions the same with the SMD vector (Mon Apr 20 2009 - 08:41:22 CDT)
- Re: how to get rid of TCL messages in namd.log from tclForcesScript (Fri Mar 13 2009 - 19:24:25 CDT)
- Re: about calculation of PMF from SMD trajectories (with pasted smd_config_file) (Wed Mar 04 2009 - 12:52:47 CST)
- Re: How to keep Total Energy constant when an external force is added? (Thu Oct 23 2008 - 09:58:15 CDT)
- Re: How can I calculate the distance between two atoms frame by frame? (Sat Oct 18 2008 - 22:07:13 CDT)
- Re: Trouble with params file when trying to perform basic dynamics with alanine. (Sat Aug 30 2008 - 11:31:18 CDT)
- Re: Struggling with the compilation of NAMD 2.6 on a PBS Cluster with LAM/MPI (Fri Aug 29 2008 - 13:55:27 CDT)
- Re: Struggling with the compilation of NAMD 2.6 on a PBS Cluster with LAM/MPI (Thu Aug 28 2008 - 14:16:18 CDT)
- Re: Struggling with the compilation of NAMD 2.6 on a PBS Cluster with LAM/MPI (Wed Aug 27 2008 - 12:12:00 CDT)
- ayhan duzgun
- ayk_at_mail.ecc.u-tokyo.ac.jp
- Ayse Ozlem Sezerman
- AYTUG TUNCEL
- Ayşe Özlem Aykut
- Ayşe Özlem Sezerman
- Ayþe Özlem Sezerman
- B
- B.R.Silver_at_warwick.ac.uk
- balaji nagarajan
- Balazs JOJART
- Baoqiang Cao
- Barbara Riddle
- barner_at_physik.hu-berlin.de
- Barry Isralewitz
- Bartosz Dobrzelecki
- Baudilio Tejerina
- baxy
- bay__gulf618_at_sina.com
- beckloni_at_umdnj.edu
- Becky Peoples
- Ben Brooks
- Ben Chern
- Ben Roberts
- benc_at_bsc.es
- Benjamin Bouvier
- Benjamin Roberts
- Benjamin Stauch
- Bernardo Sosa Padilla Araujo
- Bertrand P. S. Russell
- bertrand russell
- Biff Forbush
- Bill K
- Bill Kowallis
- BIN ZHANG
- Bing Xiong
- Binquan luan
- bioinfo Gu
- Bishop, Thomas C
- Bjoern Olausson
- Re: Constraint failure in RATTLE algorithm - shouldn't a rerun fail at the same step? (Thu Sep 10 2009 - 05:38:18 CDT)
- Re: Constraint failure in RATTLE algorithm - shouldn't a rerun fail at the same step? (Thu Sep 10 2009 - 05:26:00 CDT)
- Constraint failure in RATTLE algorithm - shouldn't a rerun fail at the same step? (Tue Sep 08 2009 - 03:12:04 CDT)
- Blake Charlebois
- Blake Mertz
- blicebauma_at_duq.edu
- bo baker
- bo liu
- Re: Peptide in Membrane Environment: loosing water from one leaflet (Mon Apr 20 2009 - 08:35:33 CDT)
- Bo Zhang
- Bogdan Costescu
- Bonnie A Merchant
- Bonnie Merchant
- bora erdemli
- Boyang Wang
- About timestep again. -- Fastest motion O-H streching period 10 fs. (Mon May 08 2006 - 11:14:37 CDT)
- Re: Saving coordinates of each frame into one separate .pdb file from a 100-frame .dcd file. (Sat Jan 21 2006 - 12:54:04 CST)
- Saving coordinates of each frame into one separate .pdb file from a 100-frame .dcd file. (Fri Jan 20 2006 - 10:44:36 CST)
- bptilaka_at_mail.uh.edu
- bqluan
- Brady Chang
- Branduardi Davide
- Branko
- brian
- Brian Bennion
- Re: NAMD results depend on # of processors!!?? (was Re: Is clock skew a problem for charm++) (Wed Jun 21 2006 - 17:24:11 CDT)
- Re: build script in charm++-5.9 does not find mpicc or mpicxx for mpi-linux version (Mon Mar 13 2006 - 14:18:15 CST)
- Re: Help! There is no angle or dihedral definitions for patches in .psf! (Thu Apr 29 2004 - 13:23:55 CDT)
- RE: minimization problem - "Bad global exclusion count,possible error!" (Fri Jan 30 2004 - 10:43:36 CST)
- RE: minimization problem - "Bad global exclusion count, possible error!" (Fri Jan 30 2004 - 10:09:19 CST)
- Re: minimization problem - "Bad global exclusion count, possible error!" (Thu Jan 29 2004 - 17:46:34 CST)
- Re: minimization problem - "Bad global exclusion count, possible error!" (Thu Jan 29 2004 - 17:19:39 CST)
- Brian Genge
- Brian J. Bennion
- Brian R Novak
- Bridget Walsh
- Brittany Calderon
- Brittany Collier
- Brittany Morgan
- brmorgan_at_clarku.edu
- brosbam_at_berkeley.edu
- by way of Jérôme Hénin
- C. Denise Enekwa
- C. Ecker
- Cable, Sam B ERDC-ITL-MS Contractor
- Caio Julio Martins Veloso
- Cameron Abrams
- Cameron Mura
- campen_at_geosc.psu.edu
- carles ferrer
- carlos alberto gueto tettay
- carlos n. a.
- Carlos Simoes
- Carsten Olbrich
- Cartailler, Jean-Philippe
- Casey,Richard
- casoni\_at_libero\.it
- Cesar Avila
- Cesar Delgado
- Cesar Luis Avila
- Re: NAMD hangs at "OPENING EXTENDED SYSTEM TRAJECTORY FILE" / PME error (Mon Aug 06 2007 - 10:16:47 CDT)
- Cesar Millan
- Cetin Baloglu
- cgji
- Chaloin Laurent
- Chandra Ramananjara
- chandran karunakaran
- Chang, Christopher
- Chao Mei
- char_at_ks.uiuc.edu
- Charles Danko
- Charles McCallum
- Charles Moad
- Charles Taylor
- Chen Yongzhi
- Cheri M Turman
- Cheri McFerrin
- Chi-Cheng Chiu
- Chin_Wei
- CHINDEA Vlad
- RE: syntax error in expression "(": premature end of expression - namdstats (Sat Jan 17 2009 - 16:18:33 CST)
- syntax error in expression "(": premature end of expression - namdstats (Fri Jan 16 2009 - 17:08:54 CST)
- FW: Multiplicity of parameters for improper bonds .............. of 1 exceeded. (Thu Dec 11 2008 - 06:17:20 CST)
- Ching Wong
- Chona S. Guiang
- Chongbo Sun
- Chris Chipot
- Re: namd 2.7b: measure free energy difference "growing" a force constant (Sat Jun 20 2009 - 10:07:16 CDT)
- Re: collective variable space PMF, including biasing potential terms? (Wed May 13 2009 - 18:16:54 CDT)
- Re: collective variable space PMF, including biasing potential terms? (Wed May 13 2009 - 17:37:04 CDT)
- Re: Alchemical FEP NAMD tutorial - problems with reproducing the results (Thu Feb 21 2008 - 03:19:42 CST)
- Chris Harrison
- Re: Re: THERMODYNAMIC INTEGRATION ON in namd 2.7b1 compiled 24.07 when TCL forces active (Wed Jul 29 2009 - 05:45:08 CDT)
- Re: namd 2.7b: measure free energy difference "growing" a force constant (Sat Jun 20 2009 - 14:01:30 CDT)
- Re: I can't keep my pulling directions the same with the SMD vector (Sun Apr 19 2009 - 18:27:24 CDT)
- Re: I can't keep my pulling directions the same with the SMD vector (Sun Apr 19 2009 - 10:25:14 CDT)
- Re: help running NAMD energy at multiple stable temperatures (newbie) (Wed Mar 04 2009 - 11:12:52 CST)
- Re: namdcvs Re: how to apply restraints for phi and psi for alpha helix regions (Sun Jan 04 2009 - 12:28:23 CST)
- Re: How to get over with the error "Atoms moving too fast; simulation has become unstable and Exiting prematurely (Sun Jan 04 2009 - 12:03:37 CST)
- Re: base stacking analysis of the trajectory of a nucleic acids simulation (Sun Jan 04 2009 - 12:12:07 CST)
- Chris Samuel
- Chris Share
- Christian Blouin
- Christine Horejs
- Christine Horejs DI
- Christophe Chipot
- Christophe Combet [PBIL/IBCP/CNRS]
- Christophe.Chipot_at_edam.uhp-nancy.fr
- Christopher Calderon
- Christopher Gillespie
- Re: Struggling with the compilation of NAMD 2.6 on a PBS Cluster with LAM/MPI (Wed Aug 27 2008 - 12:49:31 CDT)
- Christopher Harrison
- Christopher Hartshorn
- Christopher Rowley
- Christopher Share
- claudia
- Claudio Redaelli
- Claw Isthelaw
- CMM QM/MM Workshop
- Cojocaru,Vlad
- Cole Cox
- cong chen
- Corenflos, Steven Charles
- Corey Fugate
- Cosmin ROMAN
- creston .
- Crozier, Paul S
- cunning cunning
- curcio
- Cyril Falvo
- d b
- Dale Marinenko
- dalton banks
- Damon Smith
- Dan Bolintineanu
- Dan Strahs
- Dan W.
- Dan Willenbring
- daniel aguayo
- Daniel Keedy
- Daniel Miscevski
- Daniel.G.Roberts_at_sanofi-aventis.com
- Darren Anderson
- Dave Rogers
- Dave Venky
- David A. Horita
- David Brandon
- David Chalmers
- David E. Konerding
- David Hardy
- Re: NAMD2.6 - 1D Periodic Boundary and PME - FATAL ERROR: PME requires periodic boundary conditions. (Thu May 21 2009 - 15:55:42 CDT)
- David Jiang
- David Kunzman
- David L. Azevedo
- David McGiven
- David P. Brandon
- David Sept
- David Sivak
- David Skinner
- David Tanner
- David Wright
- Davide Branduardi
- Davit Hakobyan
- debashis.sikdar_at_ndsu.edu
- Deborah Jameson
- Deborah Stanton
- Deepangi Pandit
- Deepesh
- DEEPESH AGARWAL
- Demet Akten
- Dennis Glass
- Derek Finley
- Deva Priyakumar
- Devendra
- Dhiraj Srivastava
- error in loading "import hessian/charge from single point calculation" in paratool (Mon Aug 28 2006 - 17:53:11 CDT)
- Dibyadeep Paul
- Diego Alejandro Vargas
- Re: Atoms moving too fast OR constraint failure in RATTLE algorithm (Wed Nov 12 2008 - 19:00:37 CST)
- Re: Atoms moving too fast OR constraint failure in RATTLE algorithm (Sat Nov 08 2008 - 17:31:30 CST)
- Re: Atoms moving too fast OR constraint failure in RATTLE algorithm (Wed Nov 05 2008 - 23:17:56 CST)
- digenova
- Dimitar V Pachov
- DimitryASuplatov
- dimka
- dipti lele
- Dirar Homouz
- dixitpd_at_gmail.com
- Dmitry Lupyan
- Do Nhu Trang
- Dolan, Michael (NIH/NIAID) [C]
- Dong Luo
- Re: free energy,energy,entropy calculation for pushing ATP to active site of kinase! (Thu Jul 19 2007 - 09:15:13 CDT)
- Dong Xu
- dongsheng lei
- dora guzman
- dota
- doty alexiou
- Doug Moby
- Dow Hurst
- Dow_Hurst
- Dr. Luis Rosales León
- Dr. Tamal Banerjee
- drmartin_at_fizyka.umk.pl
- dstrahs_at_pace.edu
- dtmirij
- Dustin Waller
- E. Davis Oldham
- E. Prabhu Raman
- Edelmiro Moman
- edu
- Eduardo
- Eduardo Cruz-Chu
- Eduardo Tejera
- Edward Lyman
- Edward Patrick Obrien
- Re: Help! There is no angle or dihedral definitions for patches in .psf! (Thu Apr 29 2004 - 13:09:05 CDT)
- ego_wayne-namd_at_yahoo.com.cn
- Ekta Khurana
- El Escuchado por DIOS
- eladp_at_hplus.tau.ac.il
- ELENA JEAN LEVIN
- Elham Hamed
- Elia Zomot
- Elia Zumot
- Elif Ozkirimli
- Elijah Roberts
- Elsa F. Sousa Henriques
- Elsa Fernanda de Sousa Henriques
- Elsa S. Henriques
- Emanuelle Bachelet
- emilia wu
- emilia.l.wu
- emir mahmut bahsi
- End'tasa
- Enrico Piccinini
- enz1+_at_pitt.edu
- EPF (Esben Peter Friis)
- EPF \(Esben Peter Friis\)
- eprates_at_iqm.unicamp.br
- Eric Bohm
- Re: 128+ proccessor jobs on 64bit Widows hang upon completion of the simulation. (Mon Jul 30 2007 - 10:26:01 CDT)
- Re: 128+ proccessor jobs on 64bit Widows hang upon completion of the simulation. (Mon Jul 30 2007 - 11:13:09 CDT)
- Eric Cyr
- Eric Franz
- Eric H. Lee
- Re: Does NAMD have any capability to assign coordiantes to novel sequences? (Thu Jun 25 2009 - 11:16:16 CDT)
- Re: help running NAMD energy at multiple stable temperatures (newbie) (Tue Mar 03 2009 - 00:05:58 CST)
- Eric Hajjar
- Eric Hu
- Eric Perim
- Eric Peterson
- Eric R Johnson
- Eric Userlist
- Erik Nordgren
- ershela.durresi_at_yale.edu
- Esben A. Gad
- Esteban Gabriel Vega Hissi
- Eunice Ramirez
- Eunice Ramirez Melendez
- Eva Nong
- Fabien Cailliez
- Fabio Passetti
- Fabio Zegarra
- Falgun Shah
- Fam Eklund
- Fangqiang Zhu
- Felipe Merino
- felmerino_at_uchile.cl
- feng jack
- FengXian Zheng
- fereshteh moradi
- fett_at_vtr.net
- floquet_at_icsn.cnrs-gif.fr
- Florian Barth
- Florian Janetzko
- Floris Buelens
- Re: Running minimization, heating and FEP simulation within the same configuration file. (Thu Jun 26 2008 - 02:46:41 CDT)
- Re: Code question: Partitioning the patch contents into water and non-water (Mon Sep 10 2007 - 11:00:13 CDT)
- Forbes, Jeff (NIH/NIAMS) [E]
- Frances Leung
- RE: minimization problem - "Bad global exclusion count,possible error!" (Fri Jan 30 2004 - 02:52:09 CST)
- RE: minimization problem - "Bad global exclusion count, possible error!" (Thu Jan 29 2004 - 21:20:54 CST)
- Francesco Iori
- Francesco Pietra
- Francisco Castro
- Frank Thommen
- Re: Struggling with the compilation of NAMD 2.6 on a PBS Cluster with LAM/MPI (Wed Sep 03 2008 - 10:57:28 CDT)
- Re: Struggling with the compilation of NAMD 2.6 on a PBS Cluster with LAM/MPI (Sun Aug 31 2008 - 06:56:39 CDT)
- Re: Struggling with the compilation of NAMD 2.6 on a PBS Cluster with LAM/MPI (Fri Aug 29 2008 - 11:59:54 CDT)
- Re: Struggling with the compilation of NAMD 2.6 on a PBS Cluster with LAM/MPI (Thu Aug 28 2008 - 12:21:56 CDT)
- Frank Yong Jiang
- François Marchand
- Fred (Rui FENG)
- freddie salsbury
- Friedrich Salas
- Friedrick Mcdowell
- fu guoxing
- Fung Wai Keung
- FyD
- g srinivasa murthy
- Gabriel J
- Gadi Oron
- gaillard_at_chimie.u-strasbg.fr
- Galina Petrova
- gamini_at_ncbs.res.in
- Gan, Yong
- Gan, Yong \(UMC-Student\)
- Gary Lyons
- gaurav bhatti
- Gaurav Sharma
- gbellesia_at_chem.ucsb.edu
- gengbin
- Gengbin Zheng
- Re: build script in charm++-5.9 does not find mpicc or mpicxx for mpi-linux version (Tue Mar 14 2006 - 00:02:33 CST)
- Re: undefined symbol errors:__builtin_bzero and _alloca building mpi-ppc-darwin version of namd2.6b1 (Wed Aug 17 2005 - 14:14:43 CDT)
- Re: Installing NAMD on beowulf cluster, 64 bit, opteron, 4 processors. (Tue Jun 07 2005 - 13:58:15 CDT)
- Re: Compilation of Charm++ on Linux opteron cluster with MPICH-GM installed (Wed May 25 2005 - 23:05:47 CDT)
- Re: Compilation on an Opteron Server SuSE Linux Enterprise System Version 8 (Wed Oct 20 2004 - 10:24:09 CDT)
- genie lfs
- George Benton
- George M. Giambasu
- George Madalin Giambasu
- Georgios Papadopoulos
- Gerald Quon
- German Saavedra
- Ghalib Bello
- ghg_at_xalt.am
- Giacomo Fiorin
- Re: How to access velocity coordinates from within TclForces script (Thu Sep 17 2009 - 16:37:03 CDT)
- Re: 2.7b metadynamics ::alpha module :: folding of a single helix in water (Mon Jul 27 2009 - 11:52:44 CDT)
- Re: 2.7b metadynamics ::hBond component :: folding of a single helix in water (Mon Jun 22 2009 - 15:18:52 CDT)
- Re: 2.7b metadynamics ::alpha module :: folding of a single helix in water (Wed Jun 10 2009 - 08:57:38 CDT)
- Re: 2.7b metadynamics ::alpha module :: folding of a single helix in water (Tue Jun 09 2009 - 12:24:39 CDT)
- Re: 2.7b metadynamics ::alpha module :: folding of a single helix in water (Fri Jun 05 2009 - 10:53:48 CDT)
- Re: NAMD 2.7b1: metadynamics+tclForces => "... design error, GlobalMasterServer..." (Thu May 14 2009 - 19:23:19 CDT)
