Dear Justin,<br><br><br>There is "CCl4 12.011 ; carbon in carbontetrachloride (solvent)" in the gromos43a1.ff/atomtypes.atp file. <br>But I still have the error "Atomtype CCL4 not found".<br><br>
<div class="gmail_quote">2011/3/29 Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span><br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div><div></div><div class="h5"><br>
<br>
ahmet yıldırım wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Dear users,<br>
<br>
Force field: 43a1<br>
water model: spc<br>
<br>
After this command:grompp -f em.mdp -p topol.top -c solvated.gro -o em.tpr<br>
<br>
I have the following error:<br>
<br>
Fatal error:<br>
Atomtype CCL4 not found<br>
<br>
What should I do?<br>
<br>
</blockquote>
<br></div></div>
Use an appropriate atom type. The issue is probably capitalization somewhere, i.e. CCl4 rather than CCL4. See atomtypes.atp.<br>
<br>
-Justin<br>
<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<br>
-- <br>
Ahmet YILDIRIM<br>
<br>
</blockquote>
<br>
-- <br>
========================================<br>
<br>
Justin A. Lemkul<br>
Ph.D. Candidate<br>
ICTAS Doctoral Scholar<br>
MILES-IGERT Trainee<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | (540) 231-9080<br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br>
<br>
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</font></blockquote></div><br><br clear="all"><br>-- <br>Ahmet YILDIRIM<br>