try the leap "clearpdbresmap" command.
2010/1/27 Antonija Tomić <Antonija.Tomic.irb.hr>
> 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 - 04:00:04 PST
