Thank You it helped.
All best,
Antonija
Citiram Carlos Simmerling <carlos.simmerling.gmail.com>:
> 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 - 05:00:03 PST
