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Forums	Threads	Posts	Last Post
Setup, I/O, and Basic questions (5 viewing) scripting; reading & writing files Moderator: John Legato, lennart	2035	8733	Align two chains of dimer ... (lxp260) - 07/11/19 06:34 AM
Energy terms, Constraints, Restraints, and Solvation (2 viewing) Potential energy functions, implicit solvent, ... Moderator: BRBrooks, John Legato	748	3106	Re: EMAP reading (pmj) - 07/05/19 03:27 AM
Parameter Set Discussion (7 viewing) topology & parameter files; adding molecules Moderator: alex, chmgr, John Legato	1391	6326	Re: parameters for pyrido... (Aravinda) - 07/13/19 08:46 PM
Molecular Dynamics (6 viewing) Running MD & LD, trajectory analysis, ... Moderator: BRBrooks, John Legato, wxw	1560	7168	Re: Writing a restart file... (rmv) - 07/09/19 05:40 PM
Minimization, Normal modes, Monte Carlo,... (1 viewing) non-MD based energy methods; minimizers, vibrational modes, MC Moderator: BRBrooks, John Legato	398	1573	Re: pca data projection pr... (rmv) - 01/03/19 11:55 AM
Installation and Testing (5 viewing) compilation, testing, execution Moderator: chmgr, John Legato, lennart	731	3643	Re: Building CUDA enabled ... (Sebastian Kraus) - 05/11/19 09:15 AM
Performance and Benchmarking (3 viewing) Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ... Moderator: John Legato, lennart, rmv	20	139	Re: charmm eef1 implicit m... (SNOW001) - 03/05/19 09:41 PM
Other User Discussion and Questions (1 viewing) miscellaneous CHARMM issues Moderator: chmgr, John Legato, rmv	228	844	Re: coor conv, RHDO and NA... (Antoniel Gomes) - 05/16/19 01:05 PM
General Chemistry Discussions more general computational chemistry issues Moderator: hlwood, John Legato, rmv	61	221	Re: question about point s... (rmv) - 12/31/17 01:57 PM


Forums	Threads	Posts	Last Post
QM/MM Discussion and Questions (1 viewing) QM/MM: semi-empirical and ab initio methods Moderator: BRBrooks, John Legato	267	861	Bad real number in item 4 ... (Jinfeng) - 07/01/19 03:46 AM
CHARMMing CHARMMing Web interface: http://www.charmming.org Moderator: hlwood, John Legato, tim	23	56	Keeping protein rigid duri... (KKuder) - 11/10/16 04:39 AM
CHARMM-GUI CHARMM-GUI web interface: http://www.charmm-gui.org Moderator: John Legato, wonpil	157	727	Re: problem for the name o... (rmv) - 07/08/19 03:11 PM
MMTSB (1 viewing) Multiscale Modeling Tools for Structural Biology, http://mmtsb.org Moderator: charlesbrooks, John Legato	176	632	Regarding resuming of gore... (vipul_tmr99) - 09/03/18 05:57 PM
Accelrys Using CHARMM or CHARMm with Accelrys products Moderator: BRBrooks, John Legato	58	161	Re: how to calculate parti... (Ken) - 01/20/14 03:10 PM


Forums	Threads	Posts	Last Post
Script Archive (1 viewing) post and download CHARMM scripts Moderator: chmgr, John Legato, petrella	110	745	Re: read-watbox.str (tyrion_jj) - 03/21/19 09:39 AM
Bug Reports & Fixes (2 viewing) submit or review bug reports and bug fixes Moderator: BRBrooks, bucknerj, chmgr, John Legato	191	550	Re: Patch files (bucknerj) - 10/19/18 05:22 PM
Meetings & Events (1 viewing) Announce or comment on meetings and events Moderator: hlwood, John Legato, rmv, wxw	93	153	LCB weekly seminar 2018~20... (Ruben) - 10/17/18 04:32 PM
Position Openings seek or advertise open positions or collaborations Moderator: hlwood, John Legato, rmv	95	102	Research Programmer for VM... (Joao V Ribeiro) - 03/12/19 02:19 PM
CHARMM Course CHARMM Course (incomplete) Moderator: BRBrooks, hlwood, John Legato, tim	25	47	can i have a lecture notes... (zana) - 01/17/11 09:11 PM
Suggestions and Requests suggest new features for CHARMM or this website Moderator: chmgr, John Legato, lennart	25	80	Re: Free CHARMM (rossi) - 04/21/17 07:43 AM
Forum News and Announcements (1 viewing) Notices about www.charmm.org and these forums Moderator: chmgr, John Legato, pastor, tim	25	56	Forums updated to UBBThrea... (tim) - 12/18/13 01:21 PM