[lammps-users] How to write PDB files

Dear Lammps_users

   How to write the geometry into a PDB file. Pizza.py Toolkit can not work on my computer.
Can the command "dump" do it?
         

Best Regards

Zhenyu Yang
  State Key Laboratory of Nonlinear Mechanics (LNM)
  Institute of Mechanics, Chinese Academy of Sciences
  No.15 Beisihuanxi Road
  Beijing 100080, P. R. China
  FAX: 010-62579511
[email protected]
2006-05-16

LAMMPS cannot write PDB files. For Pizza.py to do it, you only
need 2 tools: dump and pdb. Did you try to launch Pizza.py
with only those 2 tools? (-t switch)

Steve

Zhenyu,

The "dump" command does not write in the pdb format.
You'll have to convert the dump files. I'd recommend
trying more to get Pizza.py to work, but there are
other tools that do conversion from LAMMPS output to
*.pdb format. See, for example, lammps2pdb.pl in the
tools/ch2lmp directory, or mkpdb.f in the tools/other
directory.

Paul

Dear Lammps_users

   How to write the geometry into a PDB file.
Pizza.py Toolkit can not work on my computer.
Can the command "dump" do it?
         
��������������
��Best Regards

��Zhenyu Yang
  State Key Laboratory of Nonlinear Mechanics (LNM)
  Institute of Mechanics, Chinese Academy of
Sciences
  No.15 Beisihuanxi Road
  Beijing 100080, P. R. China
  FAX: 010-62579511
��[email protected]
��2006-05-16

Rȧ�:&q�[���y�hv����^y�h��i��py����z�r��!���n}�h�ꮉ�%����ފ{^���y�^r薈2����쨺��m欉�ã

塧HŞm*az����bq�b�t�����]5m�v����!xg��x��em���zV���ږF�����\���I"}vӽ=n'ۭ��Z�v׮6����ˬz�&j)b�
b��Z�jl�ǫ�X���(��~��zw���i����l���q��a�z���l�X��)ߣ�Z�jl�ǫ