[gmx-users] make a cyclic peptides

[David van der Spoel]

On Thu, 28 Feb 2002, Yuguang Mu wrote:

>How can I made a topology file of a cyclic peptide in GROMACS,
>by using pdb2gmx ?
did you try? did you check the options?

I did it once long ago, but maybe I just selected none for the termini, 
and then added the missing bonds, angles and dihedrals manually. Don't 
recall.

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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