CHARMM (Chemistry at HARvard Molecular Mechanics) is a program for macromolecular simulations, including energy minimization, molecular dynamics and Monte Carlo simulations. The CHARMM Development Project involves a network of developers in the United States and elsewhere working with Professor Karplus and his group at Harvard to develop and maintain the CHARMM program.
http://www.charmm.org/
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Home - CHARMM | charmm.org Reviews
https://charmm.org
CHARMM (Chemistry at HARvard Molecular Mechanics) is a program for macromolecular simulations, including energy minimization, molecular dynamics and Monte Carlo simulations. The CHARMM Development Project involves a network of developers in the United States and elsewhere working with Professor Karplus and his group at Harvard to develop and maintain the CHARMM program.
charmm.org
CHARMM forums | Forums powered by UBB.threads™
https://www.charmm.org/ubbthreads
You are not logged in. [ Log In. User Discussion and Questions. Setup, I/O, and Basic questions. Scripting; reading and writing files. Re: problem with coo. Lennart) - Today at. Energy terms, Constraints, Restraints, and Solvation. Potential energy functions, implicit solvent, . Re: Patching UREY terms an. Topology and parameter files; adding molecules. Re: Parameters for non-hem. Running MD and LD, trajectory analysis, . Re: Fixed atoms move sligh. Minimization, Normal modes, Monte Carlo,. Yihan Shao) -...
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Links
https://cgenff.paramchem.org/commonFiles/simulationLinks.php
More Info and Tools. Acknowledgements, Privacy and Disclaimers. The CGenFF program is a product of the discontinued ParamChem project. Check out its technology page. Where other exciting force field-related technologies are listed. The CHARMM force field. Is distributed freely and independently from the CHARMM program; both can be used with other molecular simulation codes such as NAMD, GROMACS,. Provide some additional resources pertaining to the CHARMM General Force Field (CGenFF) and program. If you t...
SwissSidechain - A database of non-natural sidechains
http://ns300183.ovh.net/FAQ.php
In order to avoid security-related warning messages when switching to secured connection, you may want either to:. Confirm the exception on the next page, or. Import our CA key. In your web browser. Swiss Institute of Bioinformatics. What is an amino acid? What is a sidechain? What are non-natural sidechains? What is the difference between L and D amino acids? How were the rotamer libraries generated in SwissSidechain? What kind of data can I find in the SwissSidechain database? Where can I obtain PyMOL?
SwissSidechain - A database of non-natural sidechains
http://www.swisssidechain.ch/FAQ.php
In order to avoid security-related warning messages when switching to secured connection, you may want either to:. Confirm the exception on the next page, or. Import our CA key. In your web browser. Swiss Institute of Bioinformatics. What is an amino acid? What is a sidechain? What are non-natural sidechains? What is the difference between L and D amino acids? How were the rotamer libraries generated in SwissSidechain? What kind of data can I find in the SwissSidechain database? Where can I obtain PyMOL?
Molecular Modeling
http://www.compchemcons.com/molmod/molmod.html
Computer Chemistry Consultancy - XML4Pharma, Schlossbergstr. 20, 78224 Singen, Germany, 49 7731 975044, info@CompChemCons.com. Molecular Modeling and Computational Chemistry. The founder of Computer Chemistry Consultancy has almost 15 years of experience. In the area of molecular modeling / computational chemistry. 1991 - 2000: Akzo Nobel Corporate/Central Research: Computational Chemistry Group. 2002 - 2004: University of Basel: BioInformatics Group (prof.Schwede). 2004 - : Independent Consultant. Needs...
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charmm-edtwsprees.blogspot.com
CHARMM-ED SPREES
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CHARMM-GUI
CHARMM is a versatile program for atomic-level simulation of. Many-particle systems, particularly macromolecules of. Biological interest. - M. Karplus. Are now available. See upload log. For update history and giving. For donation. Contact. Info is given below. CHARMM-GUI is powered by CHARMM, an academic research program used world-wide for macromolecular dynamics and mechanics ( http:/ www.charmm.org. Academic users can obtain CHARMM freely from http:/ www.charmm.org. Department of Biological Sciences.
CHARMMing Web interface
CHARMMing (CHARMM INterface and Graphics). CHARMMing contains an integrated set of tools for uploading structures, performing simulations, and viewing the results. In order to provide the best possible user experience, it incorporates a number of freely available tools such as JSmol. For visualization and an automatic residue topology file (RTF) generator (GENRTF) which generates the necessary information for atoms and residues that are currently not supported by the CHARMM force fields. CHARMMing is cur...
CHARMM Development Project
Keep me signed in. This is the web-site for the CHARMM Development Project. Developers should sign up and post their developments on the appropriate bulletine board: project descriptions to Developments. Bugs and fixes to Bugfixes. And testcases and other issues to Discussions. These will be compiled into a release notes in Releases. Keep the format guided in the "notice" post on the boards, respectively. Resources. Contains useful informations, tips, and guidelines for developers. Drude energy and force.
CHARMM Development Project
This is the web-site for the CHARMM Development Project. Developers should sign up and post their developments on the appropriate bulletine board: project descriptions to Developments. Bugs and fixes to Bugfixes. And testcases and other issues to Discussions. These will be compiled into a release notes in Releases. Keep the format guided in the "notice" post on the boards, respectively. Resources. Contains useful informations, tips, and guidelines for developers. C42b2 and c43a2 Releases.
Home - CHARMM
Chemistry at HARvard Macromolecular Mechanics). A molecular simulation program. With broad application to many-particle systems with a comprehensive set of energy functions, a variety of enhanced sampling methods. And support for multi-scale techniques. Including QM/MM, MM/CG, and a range of implicit solvent models. CHARMM primarily targets biological systems. CHARMM contains a comprehensive set of analysis. And model builiding tools. CHARMM achieves high performance. And can be obtained here. Jing Huang...
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