[gmx-users] how to edit pdb file

[Yang Ye]

Hi, Andrea
As Xiupeng is on th side of using proprietory software, Xemacs would 
definitely be an overdose.

Hi, Xiupeng
All you need is to know is basic PDB file format. ATOM records in PDB 
file is in fixed-width column format. You need to format your line 
according to what said here.
http://www.wwpdb.org/documentation/format23/sect9.html

The same applies to GRO file, which is described in GROMACS manual.

Regards,
Yang Ye

andrea spitaleri wrote:
> Hi,
> have look to this:
>
> http://stein.bioch.dundee.ac.uk/~charlie/software/pdb-mode/pdb-mode.html
>
> I found it very useful
>
> regards
>
> andrea
>
> Wei, Xiupeng wrote:
>   
>> Dear GMX users,
>>          I have a basic question. I want to put two same box in x direction. So I need increase the number of atoms and change their x coordinates,then combine it with the original one. But the file created by Excel can't be recoganized by gromacs. Is there any method in Gromacs to handle that? I also used Matlab, but it can't read pdb file correctly. Thanks.
>>
>> Best regards,
>> xiupeng
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