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On 10/04/2011 4:12 PM, Mr Bernard Ramos wrote:
<blockquote cite="mid:755696.56357.qm@web161510.mail.bf1.yahoo.com"
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<div>Hi everyone! </div>
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<div>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. </div>
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<br>
I suspect your manual version is not up-to-date. The latest manual
release(s) have dihedral type 9 (which is the same as 1, but you can
have multiple of them in a [dihedraltypes] section).<br>
<br>
Mark<br>
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