On 4/21/12 12:07 PM, Shima Arasteh wrote:
Dear gmx users,
When I enter the grompp command, I get this fatal error. How can I solve its
problem?
# grompp -f ions.mdp -c monomer_solv.gro -p topol.top -o ions.tpr
The error will print out the offending line, which you can use to find which
atoms and thus which types are not parameterized. At that point, you will
either need to find/derive suitable parameters, or use a different force field
that can address the system at hand.
-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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