Hi, in the 4.0.4 version CHARMM is supported with most CHARMM specific energy terms (U-B, dihedrals,...). You can find more about it at http://www.dbb.su.se/User:Bjelkmar/Ffcharmm. The only missing thing in 4.0.4 is CMAP which is added to the latest development/CVS version. As far as I know Amber is also fully supported. But I have never used it.
Roland On Tue, Apr 28, 2009 at 3:38 PM, DimitryASuplatov <[email protected]> wrote: > Hello, > > I was jut curious, > are there any plans to fully implement any other FF in gromacs. > Particulary Im interested in CHARMM and AMBER. By full implementation > of CHARMM I mean not simply taking the numbers from the CHARMM text > file but calculating CHARMM-specific issues, like Urey-Bradley > interactions, 1-4 LJ etc. And what is your opinion about CHARMM - is > it any good vs OPLS (considering proteins)? > > Thanks a lot. > SDA > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- ORNL/UT Center for Molecular Biophysics cmb.ornl.gov 865-241-1537, ORNL PO BOX 2008 MS6309
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