[gmx-users] topogen usage

Justin Lemkul jalemkul at vt.edu
Fri Aug 3 15:13:22 CEST 2018

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

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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