Re: [AMBER] Is it possible to tleap a protein molecule without adding terminal atoms?

From: Ray Luo, Ph.D. <ray.luo.uci.edu>
Date: Mon, 9 Jun 2014 10:13:40 -0700

This is very unusual operation, but yes you can, by using the command
of "loadPdbUsingSeq", check it out in the manual. The basic idea is
that you can force a specific sequence for the input pdb.

Note also that the N- and C-terminal residue names are different from
those in the middle of the sequence in Amber.

Ray 
--
Ray Luo, Ph.D.
Professor,
Biochemistry, Molecular Biophysics, and
Biomedical Engineering
University of California, Irvine, CA 92697-3900
On Mon, Jun 9, 2014 at 5:12 AM, #YIP YEW MUN# <YIPY0005.e.ntu.edu.sg> wrote:
> Hi all, I wish to ask if it's possible to tleap a protein molecule without
> adding terminal atoms? Urgent, appreciate any help provided. =)
>
> --
> Regards
> Yip Yew Mun
> Graduate, PhD
> Chemistry and Biological Chemistry
> School of Physical and Mathematical Sciences
> Nanyang Technological University
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Received on Mon Jun 09 2014 - 10:30:02 PDT
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