Hey Amber users,
I am using antechamber to generate a prep file for a small residue from
mol2 file. It works fine. However, the prep file chose an atom order I do
not expect:( I want a certain end of this residue connecting with a big
molecule and antechamber use this end as the start of this residue. So the
LINK will choose the other end of the residue to connect to the big molecule
and incur errors.
How can I choose which end of the residue will be connected to the big
molecule?
Thank you!
Best,
Yikan
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Received on Mon Sep 14 2009 - 11:59:29 PDT
