On Wed, Dec 05, 2007, fatima.chami.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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Received on Sun Dec 09 2007 - 06:07:11 PST
