Re: AMBER: leap: impose

From: Guanglei Cui <>
Date: Tue, 17 Aug 2004 16:15:27 -0400


Related to the question below, is it possible to impose different
torsion values for {A B A B} and {B A B A} in leap? In my case, the
backbone is conjugated, so it's really --A==B--A==B--. Thanks.



> 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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Received on Thu Aug 19 2004 - 00:53:02 PDT
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