[gmx-users] rotational barrier

[Bamidele Adisa]

>Hi,
>I working with phenylacetylene oligomers in which the phenyl rings are 
>connected by alkyne linkages.
>
>I want to introduce rotation barriers to keep the phenyl rings coplanar.
>is it possible to introduce a dihedral around the single bond that 
>connects the phenyl ring
>to the alkyne carbon? if yes, how can i define it in gromacs?
>
>thanks
>dele
>
>
>
>______________________
>Bamidele Adisa
>Dept of Chemical Engineering
>Clemson University
>Clemson, SC 29634-0909
>864-654-0586
>______________________

______________________
Bamidele Adisa
Dept of Chemical Engineering
Clemson University
Clemson, SC 29634-0909
864-654-0586
______________________