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.
If you want advice that's not so vague, please cut and paste the last few lines
of your topology (.top), including anything you've modified.
-Justin
with regards:
shikha agarwal
IIIT-A
(bioinformatics)
--
========================================
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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