[gmx-users] pdb2gmx without adding missing hydrogens

David spoel at xray.bmc.uu.se
Mon Jun 24 22:27:24 CEST 2002

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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