CHARMM forums | Forums powered by UBB.threads™

You are not logged in. [Log In] CHARMM Development Project » Forums


Forums	Threads	Posts	Last Post
Setup, I/O, and Basic questions (5 viewing) scripting; reading & writing files Moderator: John Legato, lennart	2009	8581	Re: write center of mass o... (Anupam) - 10/07/18 02:57 AM
Energy terms, Constraints, Restraints, and Solvation Potential energy functions, implicit solvent, ... Moderator: BRBrooks, John Legato	739	3068	Re: Flipping a protein seg... (rmv) - 11/13/18 11:54 AM
Parameter Set Discussion (7 viewing) topology & parameter files; adding molecules Moderator: alex, chmgr, John Legato	1376	6268	Re: Web server to generate... (soroush) - 10/23/18 02:16 AM
Molecular Dynamics (6 viewing) Running MD & LD, trajectory analysis, ... Moderator: BRBrooks, John Legato, wxw	1551	7135	Re: input file of Free ene... (rmv) - 10/11/18 03:59 PM
Minimization, Normal modes, Monte Carlo,... (1 viewing) non-MD based energy methods; minimizers, vibrational modes, MC Moderator: BRBrooks, John Legato	397	1571	Re: minimization of LATTic... (rmv) - 04/25/18 01:48 PM
Installation and Testing (2 viewing) compilation, testing, execution Moderator: chmgr, John Legato, lennart	719	3593	Re: c38b2/mndo97 installat... (rmv) - 10/25/18 02:35 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 miscellaneous CHARMM issues Moderator: chmgr, John Legato, rmv	227	837	Re: Segmentation fault in ... (Colin Bannister) - 01/10/18 05:26 AM
General Chemistry Discussions (1 viewing) 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 (3 viewing) QM/MM: semi-empirical and ab initio methods Moderator: BRBrooks, John Legato	265	859	Re: c37b1 with SCCDFTB - S... (Ripplet) - 06/26/18 06:37 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 (2 viewing) CHARMM-GUI web interface: http://www.charmm-gui.org Moderator: John Legato, wonpil	148	715	Re: Protein-Ligand simulat... (rahulsuresh93) - 08/11/18 02:06 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 (5 viewing) post and download CHARMM scripts Moderator: chmgr, John Legato, petrella	110	736	Re: checking for water tra... (rmv) - 10/25/18 05:59 PM
Bug Reports & Fixes (1 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 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	91	98	PostDoc position in nuclea... (robeme) - 08/28/18 10:08 AM
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 (1 viewing) 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