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
--
==
Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalem...@vt.edu | (540) 231-3129
http://www.thelemkullab.com
==
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