[gmx-users] 100 peptides

[David van der Spoel]

On Wed, 24 Apr 2002, Nguyen Hoang Phuong wrote:

>
>Dear All,
>
>I would like to ask you that how do I prepare to simulation a system
>consisting of 100 peptides in water? Thank you very much in advance.
If they are all the same you can use genconf, if they are all different,
you have to do it manually:
cat *.pdb >> big.pdb
Use labels in your original pdb files so that pdb2gmx can keep them apart.


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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