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Forums	Threads	Posts	Last Post
Setup, I/O, and Basic questions (6 viewing) scripting; reading & writing files Moderator: John Legato, lennart	1969	8407	Re: electrostatic force ca... (lennart) - 09/14/17 07:41 AM
Energy terms, Constraints, Restraints, and Solvation (3 viewing) Potential energy functions, implicit solvent, ... Moderator: BRBrooks, John Legato	730	3034	Re: water model for permea... (stimme) - 09/09/17 06:23 PM
Parameter Set Discussion (4 viewing) topology & parameter files; adding molecules Moderator: alex, chmgr, John Legato	1351	6189	Re: patch residue problem (madape) - 08/30/17 02:09 AM
Molecular Dynamics (2 viewing) Running MD & LD, trajectory analysis, ... Moderator: BRBrooks, John Legato, wxw	1532	7059	small gap in umbrella-samp... (lqz) - 08/07/17 08:43 PM
Minimization, Normal modes, Monte Carlo,... non-MD based energy methods; minimizers, vibrational modes, MC Moderator: BRBrooks, John Legato	394	1563	Generate sparse Hessian ma... (Hyuntae) - 09/16/17 05:22 AM
Installation and Testing (4 viewing) compilation, testing, execution Moderator: chmgr, John Legato, lennart	705	3475	Re: installation problem (lennart) - 08/06/17 04:06 PM
Performance and Benchmarking Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ... Moderator: John Legato, lennart, rmv	19	135	Re: Correct implementation... (lennart) - 04/25/17 09:29 AM
Other User Discussion and Questions (1 viewing) miscellaneous CHARMM issues Moderator: chmgr, John Legato, rmv	226	832	Re: CHARMM topology files ... (Mitra) - 08/18/17 06:59 AM
General Chemistry Discussions more general computational chemistry issues Moderator: hlwood, John Legato, rmv	60	217	Free energy of alchemical ... (abhi) - 01/06/17 06:31 AM


Forums	Threads	Posts	Last Post
QM/MM Discussion and Questions (2 viewing) QM/MM: semi-empirical and ab initio methods Moderator: BRBrooks, John Legato	261	838	charmm download program (vikram dalal) - 07/17/17 04:23 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	141	698	Charmm-gui "Martini t... (Alessio88) - 08/18/17 07:59 AM
MMTSB Multiscale Modeling Tools for Structural Biology, http://mmtsb.org Moderator: charlesbrooks, John Legato	173	627	Re: To generate unfolded c... (rmv) - Yesterday at 05:07 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 post and download CHARMM scripts Moderator: chmgr, John Legato, petrella	107	709	Re: Charmm c40b1 g09 inter... (jacquez88) - 03/09/17 10:33 AM
Bug Reports & Fixes submit or review bug reports and bug fixes Moderator: BRBrooks, bucknerj, chmgr, John Legato	191	549	Re: convert small molecule... (rmv) - 07/14/17 11:49 AM
Meetings & Events Announce or comment on meetings and events Moderator: hlwood, John Legato, rmv, wxw	92	152	LCB weekly seminar 2017~20... (wxw) - 09/05/17 09:59 AM
Position Openings seek or advertise open positions or collaborations Moderator: hlwood, John Legato, rmv	84	91	Two PostDocs in Theor/Comp... (danN) - 06/05/17 06:21 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