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. Chris. -- original message -- Ali Alizadeh ali.alizadehmojarad at gmail.com Thu Sep 6 20:43:12 CEST 2012 Previous message: [gmx-users] Effect of refcoord_scaling Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] 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? Sincerely -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
