[gmx-users] problem in generation of tpr file

[Justin A. Lemkul]

Anushree Tripathi wrote:
> I am going through the Justin Lemku tutorial for KALP15 in DPPC.  I have
> reached step three, when I try to generate a trp file for DPPC only by
> means of :
> 
> grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr
> 
> I get the following warning:
> 
> Fatal error:
> Atomtype OW not found
> 
> Any idea as to what causes this problem?

You constructed the force field incorrectly by deleting or commenting out a line 
(or more) related to OW.  Re-check the instructions provided in the tutorial.

-Justin

-- 
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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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