[Xplor-nih] rdcs, shake

[Barbara Richter]

Hi,

Two questions...

When restraining RDCs on the sidechain, which types do you use? Is it ok to 
use the "CACO" type for carbon-carbon RDCs on the sidechain? And the "CAHA" 
type for carbon-hydrogen RDCs? I guess the question I am trying to ask is 
whether it is ok to assume that the bond lengths are the same in these 
cases.

Also, what is the easiest way to keep bond lengths (but not angles) 
constant. Is there an equivalent of the SHAKE statement in XPlor-NIH?

Thanks!
Barbara