James Starlight wrote:
Ok, James thank you
It seems that I should to wite some script for too many iterations e.g
perl inflategro.pl <http://inflategro.pl> minimized1.gro 0.95 DPPC 0
shrinked1.gro 5 area_shrink1.dat
grompp -f minim.mdp -c shrinked1.gro -p topol.top -o minimized2.tpr
mdrun -v -deffnm minimized2
perl inflategro.pl <http://inflategro.pl> minimized2.gro 0.95 DPPC 0
shrinked2.gro 5 area_shrink1.dat
grompp -f minim.mdp -c shrinked2.gro -p topol.top -o minimized3.tpr
mdrun -v -deffnm minimized2
......
perl inflategro.pl <http://inflategro.pl> minimized20.gro 0.95 DPPC 0
shrinked20.gro 5 area_shrink1.dat
grompp -f minim.mdp -c shrinked20.gro -p topol.top -o minimized21.tpr
mdrun -v -deffnm minimized21
All of which can be done in a for-loop instead of typing it out manually.
Does this action sequence correct? So as the consequence I need to find
operator wich stop the script untill defined value of S per lipid will be
reached
Yes. You can read that value from the screen or from the area.dat file that
inflategro.pl prints.
-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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