Re: [AMBER] Can IMPOSE apply to improper angle?

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Fri, 08 Mar 2013 08:11:25 +0100

Dear Ikuo KURISAKI,

'impose' works well in some conditions - but is buggy; the reported
bug(s?) where not corrected from what I know. However, you should be
able to use this command...

or send an example of what you want to do and the error message if any
(I guess no one)...

regards, Francois


> I just want to change improper tortion in UNIT by "impose" command in LEaP.
> But I am afraid that "impose" does not apply to improper tortion...
> Because I cannot change the improper angles even by using AmberTools 1.5.
>
> Actually, the previous thread discussed.
> -> http://dev-archive.ambermd.org/201111/0179.html
>
>
> Now, would you let me know whether
> (1) My thought, i.e. impose cannot treat improper angle,
> Is not right.
> (2) there is alternative to operate improper angle in the sence of structure
> in Amber Package.



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Received on Thu Mar 07 2013 - 23:30:03 PST
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