Eduardo Oliveira wrote:
Hi all,
After a ran grompp_d in prepration for a Steepest Descente Minimizations
with constraints i got the folowing error message:
Fatal error:
No such moleculetype CL-
I don know for shure but i think that i forgot to modify some of the
files with the numbers os CL- ions I've introduced into the system.
No, the error is complaining about the ion name, not the number. If the
numbering mismatched, you'd get something different. Check ions.itp for proper
naming for your force field.
Here is the command line:
grommp_d -f stpr.mdp -c sistema_ions.gro -p sistema.top -o sistema_stpr.tpr
The more relevant information would have been your genion command, force field
name, and Gromacs version.
-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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