TJ Mustard wrote:
Hi all,
Does anyone know how to make a positional restraint file for the
terminal atoms in a protein/rna/dna chain via genrestr? I know I can get
the backbone, C-alpha, etc.
Doing this by hand will be time consuming, and if there was an automated
way of doing this I would be very happy.
Like the other Gromacs utilities, genrestr can make use of index files.
-Justin
Thank you,
TJ Mustard
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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