Justin, Florian, Thank you very much! > genconf -renumber Very useful feature! I do not know why it is not listed with genconf -h in my gmx-3.3.1 but it works.
> and perhaps cahnge numbering. Yes, the problem was in fact in quick changing numbers. I just used cat 1.gro 2.gro > 12.gro and then genconf -f 12.gro -renumber. Vitaly JAL> 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. >> JAL> The resulting .pdb will have to be modified slightly, as Florian noted. You can JAL> then renumber it with genconf -renumber to get continuous numbering. JAL> If you need unique chain identifiers, that sort of thing could also be scripted JAL> if they are not already present. JAL> -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 >>>> -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq.,4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban tel.: +38-097-8259698 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
