On Thu, Dec 05, 2019, emanuele falbo wrote:
>
>I am trying to run a Minimization with one residue coordinates fixed.
>However, no matter how large the restraint constant it is, the residue
>keeps being minimised.
How far does it move? How big is the restraint energy? Is the -ref
file the same as the -c file? (That is, is the restraint energy zero on
step 1?)
You could also use the belly option to allow only residues greater than
1 to move.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Dec 06 2019 - 05:30:02 PST
