[gmx-users] pdb2gmx without adding missing hydrogens

[David]

On Mon, 2002-06-24 at 16:19, Markus O Kaukonen wrote:
> Dear All,
> 
> I have cut by hand one amino acid off my protein.
What does this mean? In the middle of a residue?
You may be fine renaming your residue, to e.g. ACE or NAC. Check the
database (rtp file).

-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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