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#23492 - 02/24/10 07:26 AM CHARMMing and Genrtf/antechamber
nfloquet Offline
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Registered: 02/12/08
Posts: 29
Loc: Faculté de Pharmacie, Montpell...
Dear charmm users, i actually try to build a ligand:receptor complex using charmming; habitually, i was using antechamber and gaff to build parameters for the ligand, but now i would like to build charmm (fully) compatible topologies/parameters files; i did not successed in building such files with charmming; any tutorial existing ?

nicolas floquet

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#23494 - 02/24/10 12:40 PM Re: CHARMMing and Genrtf/antechamber [Re: nfloquet]
tim Offline

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Registered: 10/24/04
Posts: 290
Loc: Rockville, MD
You might want to look at the CHARMM General Force Field (CGENFF) and its associated references. There is a tutorial available for how to use it on Dr. MacKerrell's group web site.

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