ksm tprk wrote:
Hi Justin,
I got same error before.
The solution is still the same. You have listed all of your carbon atom types
as simply "C" which corresponds to a bare carbon (carbonyl, etc) and if you
search in ffgmxbon.itp for an angle involving three of these atoms, you won't
find any. Choose a suitable atom type for these atoms and look for available
parameters in ffgmxbon.itp.
-Justin
--
========================================
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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