[gmx-users] endcapping

David van der Spoel spoel at xray.bmc.uu.se
Tue Feb 19 19:35:57 CET 2002

It is not at all necessary to change any files for an NH2 endgroup if you
have an N atom present (like you have) as long as it has a different
residue number than the previous residue. You do
pdb2gmx -ter
and select none for the c-terminus
that's all

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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