[gmx-users] How to generate .itp file for a given molecule

DEEPESH AGARWAL deepesh.iitd at gmail.com
Sat Jul 12 09:45:10 CEST 2008

Hi Prasun,

Running 'pdb2gmx' command on the pdb file generates 'posre.itp' file
along with .top and .gro files.


On 7/12/08, prasun kumar <prasun30 at gmail.com> wrote:
> dear users,
> I am facing a problem in generating the .itp file for a molecule that i have
> created.can any one please tell me the procedure how to generate the .itp
> file.Is there any way?
> thanx in advance.
> waiting for your suggestions

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