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General Chemistry Discussions
more general computational chemistry issues - 66 Topics
- 236 Posts
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Re: L-iso-Asp and IAS
by RobScott View the latest post
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Parameter Set Discussion
topology & parameter files; adding molecules - 1466 Topics
- 6565 Posts
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Re: Inconsistent torsion in F…
by enord View the latest post
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Installation and Testing
compilation, testing, execution - 757 Topics
- 3782 Posts
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Re: charmm+openmm runtime err…
by pga043 View the latest post
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Setup, I/O, and Basic questions
scripting; reading & writing files - 2103 Topics
- 9005 Posts
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Re: Reverse patch (14BB) to i…
by rmv View the latest post
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Energy terms, Constraints, Restraints, and Solvation
Potential energy functions, implicit solvent, ... - 779 Topics
- 3219 Posts
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Re: Energy terms in DYNA
by anastasia View the latest post
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Molecular Dynamics
Running MD & LD, trajectory analysis, ... - 1602 Topics
- 7389 Posts
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OOM Error with GBSW in CHARMM…
by freeshane View the latest post
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Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC - 403 Topics
- 1593 Posts
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Re: VIBRan BNM BHES command a…
by rmv View the latest post
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Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ... - 24 Topics
- 153 Posts
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Re: Polarizable DNA force fie…
by rmv View the latest post
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Other User Discussion and Questions
miscellaneous CHARMM issues - 235 Topics
- 859 Posts
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Re: Issue with MOLVIB analysi…
by enord View the latest post
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CHARMM-GUI
CHARMM-GUI web interface: http://www.charmm-gui.org - 208 Topics
- 833 Posts
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Re: Question Pertaining to Ma…
by enord View the latest post
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MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org - 178 Topics
- 634 Posts
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Error when reading GO paramet…
by Ashan View the latest post
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QM/MM Discussion and Questions
QM/MM: semi-empirical and ab initio methods - 287 Topics
- 912 Posts
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Charge and Multiplicity in SC…
by Palani View the latest post
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Accelrys
Using CHARMM or CHARMm with Accelrys products - 58 Topics
- 161 Posts
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Re: how to calculate partial …
by kenb View the latest post
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CHARMMing
CHARMMing Web interface: http://www.charmming.org - 24 Topics
- 59 Posts
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Re: Keeping protein rigid dur…
by rmv View the latest post
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BLaDE
Basic Lambda Dynamics Engine for fast alchemical simulations on GPUs - 0 Topics
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pycharmm
a python interface for CHARMM - 0 Topics
- 0 Posts
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apoCHARMM
a state-of-the-art molecular dynamics package designed for efficient and accurate simulations of biomolecular systems - 0 Topics
- 0 Posts
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Forum News and Announcements
Notices about www.charmm.org and these forums - 25 Topics
- 56 Posts
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Forums updated to UBBThreads …
by tim View the latest post
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Suggestions and Requests
suggest new features for CHARMM or this website - 27 Topics
- 84 Posts
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Problem with CHARMM Request
by rossi View the latest post
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Script Archive
post and download CHARMM scripts - 112 Topics
- 764 Posts
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Re: How to obtain the atomicf…
by lennart View the latest post
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Bug Reports & Fixes
submit or review bug reports and bug fixes - 194 Topics
- 564 Posts
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Re: Problem Compiling Newest …
by rossi View the latest post
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Meetings & Events
Announce or comment on meetings and events - 99 Topics
- 159 Posts
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LCB Weekly Seminar 2022-2023
by BRBrooks View the latest post
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Position Openings
seek or advertise open positions or collaborations - 97 Topics
- 105 Posts
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Re: System Administrator Posi…
by novavoyager View the latest post
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CHARMM Course
CHARMM Course (incomplete) - 25 Topics
- 47 Posts
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can i have a lecture notes on…
by zana View the latest post
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CHARMM History
Comments on the decades of CHARMM history from developers past and present - 0 Topics
- 0 Posts
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