Víctor Bahamonde wrote:
Dear users
I have created a .itp file with the program TopolGen, published in the
website of GROMACS. to review the angles, I see that there are
redundancies. This will affect the results of molecular dynamics
calculation?. What should I do with them? (delete?)
Thanks in advance!
I've never seen this happen before. Could you send me your coordinate file and
resulting topology (off-list) so I can debug?
-Justin
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--
========================================
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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