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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