[gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)

Mark Abraham mark.abraham at anu.edu.au
Wed Aug 29 03:46:48 CEST 2007

> Hi Mark,
>   Two months ago I send a mail to Gromacs user to leran how I generate the
> .itp file and Tsjerk told me that I should use pdb2gmx.So I used
> it!Could you tell me how can I prepare
>   .itp file,please?My time is running out and my supervisor wait for some
> results from me!!

You've been given enough information to solve your own problems. Read it
carefully and use it. Chapter five of the manual is your best friend, and
so is http://wiki.gromacs.org/index.php/topology_file


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