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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Received on Sun Dec 09 2007 - 06:07:05 PST
