Dear Reciepient,
I have a doubt on giving the full degrees of freedom for
torsion angles using Xplor.
I use proteinL as my model system. Referring the earlier works I gave
Full degrees of freedom to the 11 mobile side chains and i gave
dihedral restraints of ?20? for the adjacent sidechains(in
surfacesidechains.tbl with the standard Xplor format), but now how can
I give full degrees of freedom to this surface sidechains as well??
Is that advicable to just do this
! @surfacesidechains.tbl
in the script or I have to change the force constant for the
corresponding energy term.
Thanks in advance
Jenaa
