Justin A. Lemkul wrote:
shikha agarwal wrote:
I m doning membrane protein simulation , in POPE environment using
this tutorial
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/03_solvate.html
when I run command:
grompp -f minim.mdp -c pope.gro -p topol_pope.top -o em.tpr
I always facing this error "Atomtype OW not found"
help me !
Without significantly more information, no one can. You've badly
mangled the topology, such that the #include statement for your water
topology is either missing, mis-formatted, or subject to some
conditional that you may or may not know you're setting.
...or you've managed to completely break the force field you're using, in which
case you need to go all the way back to step 1 of the tutorial and follow more
closely. The directions are very explicit.
-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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