[gmx-users] topogen usage

[Justin Lemkul]

On 8/2/18 7:36 PM, paul buscemi wrote:
> Dear Users,
>
> Although topogen is a bit dated it seems to work well for ‘smaller’ polymers -500 atoms- and builds a single file itp. However in making a file for nylon 12 1000 atoms , a ‘central’ itp was create and separate files were made for section_dihedrals, section_bonds etc.   Are these to be included as you would an itp,  or does the itp find them automatically ?

If you're getting files that have different pieces, then the debug 
output isn't turned off. Probably something just isn't commented out. 
But the topology has all that information.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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