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
--
========================================
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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