Vitaly Chaban wrote:
Hi Justin,
The only problem of you way is that numbers in the resulting '.gro'
(after editconf -f *.pdb) file are wrong. But I still need it for the
calculation, of course.
The resulting .pdb will have to be modified slightly, as Florian noted. You can
then renumber it with genconf -renumber to get continuous numbering.
If you need unique chain identifiers, that sort of thing could also be scripted
if they are not already present.
-Justin
Do you know any software to succeed with this task?
I tried to do it with MOLEKEL but (when I ask to save as PDB) it saves
only the first structure (from the first PDB file).
Thanks, Vitaly
JAL> 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.
Does anybody know how to do it?
JAL> cat pdb1.pdb pdb2.pdb > pdb_both.pdb
JAL> -Justin
Or the same with .gro files?
Thanks.
Vitaly
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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