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Forums	Threads	Posts	Last Post
Setup, I/O, and Basic questions (4 viewing) scripting; reading & writing files Moderator: John Legato, lennart	2027	8702	Re: Langevin thermostat (rmv) - 04/17/19 12:56 PM
Energy terms, Constraints, Restraints, and Solvation (3 viewing) Potential energy functions, implicit solvent, ... Moderator: BRBrooks, John Legato	742	3087	Re: Fix conformation while... (rmv) - 03/21/19 05:58 PM
Parameter Set Discussion (4 viewing) topology & parameter files; adding molecules Moderator: alex, chmgr, John Legato	1386	6305	Parameters for Dimethylsul... (Aravinda) - 04/17/19 10:28 AM
Molecular Dynamics (10 viewing) Running MD & LD, trajectory analysis, ... Moderator: BRBrooks, John Legato, wxw	1555	7158	Re: The new .psf file can ... (rmv) - 03/13/19 10:41 AM
Minimization, Normal modes, Monte Carlo,... (2 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 (6 viewing) compilation, testing, execution Moderator: chmgr, John Legato, lennart	728	3632	Warning in gnu_M.log (SNOW001) - 02/25/19 03:18 AM
Performance and Benchmarking 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 (2 viewing) miscellaneous CHARMM issues Moderator: chmgr, John Legato, rmv	228	843	Re: Charmm in Ubuntu can n... (rmv) - 01/12/19 10:48 AM
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 QM/MM: semi-empirical and ab initio methods Moderator: BRBrooks, John Legato	266	860	QM-MM electrostatic force (inakollu) - 03/27/19 11:02 PM
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 (2 viewing) CHARMM-GUI web interface: http://www.charmm-gui.org Moderator: John Legato, wonpil	154	723	concentration of ions when... (Jordi Bujons) - 03/19/19 09:29 AM
MMTSB 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 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 (1 viewing) 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 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