[gmx-users] capping peptide

[David van der Spoel]

On Mon, 2003-02-03 at 14:04, Itamar Kass wrote:
>    Dear all, I can not find a way to put at a decent cap to my peptide, as we
> did using CHI-param (CNS) of the form of N-acetyl - Xaa - C-n-methyl.  Does
> someone know of such a way?
Check the rtp file of your choice. I'm sure they are there. You have to
add the atoms in the pdb file and give them the right residue and atom
name (corresponding to the database)

>     Kass.
> 
> ********************************************
> Computers are like airconditioners... They don't work well with Windows open.
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> 
> ===========================================
> | Itamar Kass
> | The Alexander Silberman
> | Institute of Life Sciences
> | Department of Biological Chemistry
> | The Hebrew University, Givat-Ram
> | Jerusalem, 91904, Israel
> | Tel: +972-(0)2-6585146
> | Fax: +972-(0)2-6584329
> | Email: ikass at vms.huji.ac.il
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
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://xray.bmc.uu.se/~spoel
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