Dear Amber Users,
I am wondering if there is a way to force leap not to make first and
last amino acid N and C terminal?
I have a big protein and I want to "extract" the middle part of it to
do some calculations (mm_pbsa). I already have "stripped trajectory"
of that middle part but when I try to make related TOP file tleap
always makes my first and last amino acid C and N terminal.
Maybe I am asking too much?
Any suggestions?
Kind regards,
Antonija
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Received on Wed Jan 27 2010 - 04:00:03 PST
