AMBER Archive (2004)

Subject: AMBER: leap: impose

From: Guanglei Cui (
Date: Tue Aug 17 2004 - 13:44:04 CDT

Dear all,

I'm trying to use the impose command for two torsions in my system,
which has a scheme like:
   R1 R1 R1
   | | |
--A--B--A--B--A--B--, built by sequence {unit unit unit}
   | | |
   R1 R2 R2

I tried to impose on A-B-A-B to a certain value, and it worked fine with
all A-B-A-B occurences. But it doesn't seem to work with B-A-B-A. Has
anyone experienced this? Thank you.


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