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General Chemistry Discussions
more general computational chemistry issues - 65 Topics
- 233 Posts
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Re: Analysis of Multiple Inde…
by lennart View the latest post
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Parameter Set Discussion
topology & parameter files; adding molecules - 1458 Topics
- 6543 Posts
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Re: CGenFF and Formaldehyde P…
by enord View the latest post
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Installation and Testing
compilation, testing, execution - 756 Topics
- 3778 Posts
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Re: run charmm command on ter…
by enord View the latest post
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Setup, I/O, and Basic questions
scripting; reading & writing files - 2100 Topics
- 8995 Posts
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Re: Mutate residue from psf a…
by enord 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, ... - 1599 Topics
- 7383 Posts
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Re: Dehydrated bilayer simula…
by rmv View the latest post
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Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC - 402 Topics
- 1591 Posts
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Re: Monte Carlo in implicit s…
by banban 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 - 232 Topics
- 855 Posts
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Re: using a GPU when running …
by thegodfather View the latest post
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CHARMM-GUI
CHARMM-GUI web interface: http://www.charmm-gui.org - 202 Topics
- 819 Posts
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Re: AMBER ff14sb Force Field …
by rmv 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 Ashd 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 Ken 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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