[gmx-users] (no subject)

[David van der Spoel]

On 7/14/10 9:44 PM, munubas at yahoo.com wrote:
> Hi
> How do I built the terminals of a peptide withe ACE and NHMe i.e.CH3CO and NHCH3 respectively. please suggest.  My sequence is -Q-Q-Q-Q-Q-Q-Q-Q-Q-Q-
> M. Baskar.
>
>
>
just add an extra residue (e.g. gly or ala) at eeither end using pymol 
or so, and then rename them in a text editor and throw away superfluous 
atoms.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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