Can anybody help with "impose" command in Leap?
When trying to impose dihedral angle spanning two residues (let's say:
167-168) I tried to use the following:
impose aa {167 168} { CH3 C N CA 180.0 }
but I am getting the following error message:
impose: Invalid internal in list
impose: Invalid internal in list
impose: Invalid internal in list
impose: Invalid internal in list
impose: Invalid internal in list
impose: Invalid internal in list
impose: Invalid internal in list
impose: Invalid internal in list
impose: Invalid internal in list
impose: Invalid internal in list
If I use something which looks slightly more like it is stated in
documentation:
impose aa {167 168} {{ CH3 C N CA 180.0 }}
leap complains:
impose: Illegal angle internal definition
impose: Illegal angle internal definition
Thanks
Piotr
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Received on Sun Aug 13 2006 - 06:07:18 PDT
