AMBER Archive (2002)

Subject: restrain a residue as center of mass

From: eric hu (erichu_linux_at_yahoo.com)
Date: Tue Nov 26 2002 - 17:36:19 CST

Hi, I want to freeze the internal motion of an
unnatural residue which happens to have two molecules.
I still want the residue's center of mass to have all
the freedoms. I wonder if there is way to do this. I
have tried to constrain individual atoms or bond
distances and they will either fix the atoms in the
space of there are still internal motions. Thanks a
lot.

Regards,
-Eric

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