Dear AMBER users and developers,
I want to do MD simulation of 137 nt RNA by keeping phosphate groups
neutral. I found from Amber Archive that RAN, RCN, RUN and RGN will keep
the nucleotides of RNA neutral. However, xleap gave the message: "The file
contained 411 atoms not in residue templates"
New atoms created by xleap are P, O1P, O2P. So, I can not save prmtop and
inpcrd files.
How to solve it? Many thanks,
Wu
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Received on Tue May 17 2011 - 15:30:02 PDT
