[gmx-users] The .pdb file compatible with structure of .itp file,

Christopher Neale chris.neale at mail.utoronto.ca
Thu Sep 6 20:58:11 CEST 2012

Abstractly it is possible, but there is no tool to do this in gromacs. What you are trying to do is, in some cases, possible in CHARMM (building coordinates from idealized topology data), although you will obviously not get reasonable structures for things like proteins by doing this. In the same vein, you can construct a pdb using a tool like PyMOL.

If you want other ideas, you'll need to provide more information.


-- original message --

Ali Alizadeh ali.alizadehmojarad at gmail.com 
Thu Sep 6 20:43:12 CEST 2012
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Dear All users

I want to make a .pdb file that's compatible with structure of .itp file.
Is it possible?
Because of in some cases that .pdb file is not compatible with .itp file,I
cannot  add new molecules to force fields.
what software does this work?


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