[gmx-users] Why some dihedrals have multiple parameters

David Saez davidsaezsan at gmail.com
Mon Dec 30 18:47:05 CET 2013


Hi friends

 I have been building a topology and I found that some dihedrals have
multiple parameters. Can someone tell me why is that? I imagine they should
be used when you need to account for multiple terms in a Fourier
representation, but I'm about to write a report and I'm not quite sure now.

Thanks in advance.

Regards.

--
View this message in context: http://gromacs.5086.x6.nabble.com/Why-some-dihedrals-have-multiple-parameters-tp5013574.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.


More information about the gromacs.org_gmx-users mailing list