Dear Amber Users!
I have some questions about Xleap.
I've edit my structure via xleap ( buid missing H atoms and CAP groups) in
accordance to that tutorial
http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_three/section4.htm
I have some questions
1- I've edit my reference by means of the param10 set. Before editing of my
structure also I've edit some properties of ACE group ( I just rename atoms
in that groups) but after saving my structure the names of atoms in ACE
group were still unchanged. How I can rename atoms in different functional
groups forever ? :)
2- My initial structure consisted of 2 identical alpha helices but after
saving both of monomers were merged into one chain ( so from started pdb
the string about chains A and B was deleted ). How to prevent this
merging ? I want that my output structure will consist of 2 chains as an
input one.
Thanks
James
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Received on Thu Nov 10 2011 - 08:00:04 PST
