[gmx-users] On dihedral type for CHARMM

Mr Bernard Ramos bgrquantum at yahoo.com
Sun Apr 10 08:12:24 CEST 2011


Hi everyone! 
 
I am currently studying CHARMM ff and I have a question on the functional type of the CHARMM dihedral. On the ffbonded.itp, the function type for CHARMM dihedrals is 9. However, this functional type is not listed on Table 5.5 of the manual. I read that there are 9 supported functional types for dihedrals. Am I correct to assume that func=9is for the CHARMM dihedrals. 
 
thanks
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110409/944eb311/attachment.html>


More information about the gromacs.org_gmx-users mailing list