mark.j.abra...@gmail.com
To: Discussion list for GROMACS users gmx-us...@gromacs.org, Vitaly
Chaban vvcha...@gmail.com
Subject: Re: [gmx-users] conversion xtc to xyz format with openbabel
Message-ID:
camnumasyzqff03cu-ollmm1wq5wnccnbyjjpdoti5bv_cub...@mail.gmail.com
Content
On Sat, Feb 22, 2014 at 10:16 PM, Dr. Vitaly Chaban vvcha...@gmail.comwrote:
The workaround is to trjconv -o 111.pdb, open an editor, select a
block of coordinates, and paste in XYZ file.
I also do not like PDB files from gromacs, but AFAIK many programs
generate such PDB files which other
Hello all,
My apologies for these out topic questions
Does anybody have already try to convert xtc trajectory into xyz with
openbabel?
Btw, it seems that pdb file generated with editconf can not be read by
openbabel. I obtain the following error :
WARNING: Problems reading a PDB file
