On 6/9/12 7:24 AM, ramaraju801 wrote:
hi
am working on a DNA-protein complex, during the energy minimization step its
giving the following error,
"Fatal error:
Atomtype O2 not found"
am using charmm27 force field and used the command "grompp -f minim.mdp -c
protein.gro -p protein.top -o protein-EM-vacuum.tpr "
How did you produce the topology? Did you modify it in any way? As the error
message states, O2 is not a valid atom type for CHARMM27.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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