AMBER Archive (2007)

Subject: AMBER: leap restrainTorsion

From: fatima.chami_at_durham.ac.uk
Date: Wed Dec 05 2007 - 04:24:30 CST

Dear Amber users,

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

my question is : how restrainTorsion command can be used in this case?

I want to calculate torsional barrier in Amber9 but i could not find a a way to
do it ??
any help would be great

fatima

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