Dear Amber users,
Is here a way to define flexible residues group within a
distance (like 20 A) of a mass center for MD simulation
automatically? Or, you have to do that manually.
CUTRES in carnal generates the input for sander, e.g.:
GROUP g1 (RES 1);
CUTRES c1 g1 20.0;
for 20A from the center of mass of the 1st residue.
Bill Ross
Received on Tue Oct 23 2001 - 21:14:35 PDT
