ahmet yıldırım wrote:
Dear users,
Force field: 43a1
water model: spc
After this command:grompp -f em.mdp -p topol.top -c solvated.gro -o em.tpr
I have the following error:
Fatal error:
Atomtype CCL4 not found
What should I do?
Use an appropriate atom type. The issue is probably capitalization somewhere,
i.e. CCl4 rather than CCL4. See atomtypes.atp.
-Justin
--
Ahmet YILDIRIM
--
========================================
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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