AMBER Archive (2007)

Subject: Re: AMBER: leap restrainTorsion

From: David A. Case (case_at_scripps.edu)
Date: Wed Dec 05 2007 - 10:50:12 CST

On Wed, Dec 05, 2007, fatima.chami_at_durham.ac.uk wrote:
>
> I have used the restrainTorsion command in Leap to generate topology files and
> run minimization with sander but it did not work cause sander does not read
> restrains from topology file.
>
> I am aware of NMR refinement but i taught that the easiest way is via Leap

No, the "easiest way" has to be the one that works :-) You should plan on
using the NMR restraint approach. [Others can chime in here if I am missing
some other option.]

...dac

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