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 (11 viewing) scripting; reading & writing files Moderator: John Legato, lennart	1962	8374	Re: Scalar to change occup... (lennart) - Yesterday at 02:35 PM
Energy terms, Constraints, Restraints, and Solvation (4 viewing) Potential energy functions, implicit solvent, ... Moderator: BRBrooks, John Legato	728	3020	Re: About the IPS method i... (rsakamak) - 06/10/17 08:07 PM
Parameter Set Discussion (7 viewing) topology & parameter files; adding molecules Moderator: alex, chmgr, John Legato	1346	6168	NBFIX between SOD and OG2D... (StevenWang) - 06/26/17 01:04 PM
Molecular Dynamics (7 viewing) Running MD & LD, trajectory analysis, ... Moderator: BRBrooks, John Legato, wxw	1529	7044	Re: a very basic question ... (rmv) - 06/21/17 01:53 PM
Minimization, Normal modes, Monte Carlo,... (1 viewing) non-MD based energy methods; minimizers, vibrational modes, MC Moderator: BRBrooks, John Legato	393	1560	Re: Vibran module of Charm... (fara) - 06/09/17 11:40 AM
Installation and Testing (1 viewing) compilation, testing, execution Moderator: chmgr, John Legato, lennart	702	3458	Re: Compilation em64t DOMD... (rmv) - 02/17/17 04:17 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	224	825	Re: undefined angle style ... (akv) - 06/15/17 04:43 PM
General Chemistry Discussions (1 viewing) 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 QM/MM: semi-empirical and ab initio methods Moderator: BRBrooks, John Legato	261	838	Re: charge density or elec... (syjohn) - 03/21/17 02:14 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	139	696	Ligand Binder Scripts: Ext... (Manori) - 05/09/17 05:36 PM
MMTSB Multiscale Modeling Tools for Structural Biology, http://mmtsb.org Moderator: charlesbrooks, John Legato	171	623	How can I download MMTSB p... (Sang Jin Lee) - 11/21/16 05:22 AM
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 (2 viewing) submit or review bug reports and bug fixes Moderator: BRBrooks, bucknerj, chmgr, John Legato	190	547	domdec bugfix for domains ... (rmv) - 04/10/17 03:49 PM
Meetings & Events Announce or comment on meetings and events Moderator: hlwood, John Legato, rmv, wxw	91	151	Q-Chem User Workshop at Sa... (Zhi-Qiang You) - 03/06/17 05:31 PM
Position Openings (1 viewing) 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 (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