[gmx-users] error with changing pdb file

Justin A. Lemkul jalemkul at vt.edu
Fri Dec 18 22:50:07 CET 2009

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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