Re: AMBER: leap restrainTorsion

From: David A. Case <>
Date: Wed, 5 Dec 2007 08:50:12 -0800

On Wed, Dec 05, 2007, 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.]


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Received on Sun Dec 09 2007 - 06:07:11 PST
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