[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
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