[gmx-users] two pdb files

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Wed Oct 15 13:56:03 CEST 2008


On Wednesday, 15. October 2008, Vitaly Chaban wrote:
> Hi,
> I have two pdb files of two equal boxes (with different particles in
> them). I want just to concatenate them. I cannot do it with genbox
> because it inserts only a part of one box into another. But the boxes
> are absolutely equal. Thus, I need to insert box 'I' into box 'II'.
> The boxes are made in such a way that the molecules don't intersect
> after insertion.

you can easily merge both files if the atoms do not overlap with


you have to delete CRYSTAL and remarks line and perhaps cahnge numbering.

> Does anybody know how to do it?
> Or the same with .gro files?
> Thanks.
> Vitaly



 Dr. Florian Haberl                        
 Universitaet Erlangen/ Nuernberg
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 Telephone:  	+49(0) − 9131 − 85 26573
 Mailto: florian.haberl AT chemie.uni-erlangen.de

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