[gmx-users] combine two pdb files

Peter Stern peter.stern at weizmann.ac.il
Fri Nov 27 23:27:19 CET 2015

AFAIK pdb2gmx doesn't care about the atom numbers in your pdb file since in any case it reorders them and renumbers them after adding hydrogen atoms.  Did you try it?


Sent from my iPad

> On 27 בנוב׳ 2015, at 22:28, masoud keramati <keramati.ma3oud at gmail.com> wrote:
> Hello
> I want to simulate two proteins and need to combine these two pdb files in
> one.
> important thing is the atom number. if combine with cat command it gives a
> file that contain two atom with the same atom and residue number that will
> make an error in simulation.
> is there exist any way to combine these two pdb files to solve this problem?
> I mean if first pdb finish with atom number n and residue number m then
> next pdb is start with atom number n+1 and residue number m+1.
> tnx
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