On 6/15/12 5:58 AM, ankita oindrila wrote:
i am using the tutorial KALP15 in DPPC for my protein in bilipid
membrane SIMULATION.
i have reached Step Three: Defining the Unit Cell & Adding Solvent
where i hav to pack the lipids around the protein using InflateGro.
how do i start using inflategro?
my last step was : to generate this new position restraint file using genrestr:
genrestr -f KALP_newbox.gro -o strong_posre.itp -fc 100000 100000 100000
After which ,In the .mdp file used for the minimizations, i added a
line "define = -DSTRONG_POSRES" to make use of these new position
restraints.
when i next gave the command :perl inflategro.pl system.gro 4 DPPC 14
system_inflated.gro 5 area.dat
ERROR Can't open perl script "inflategro.pl": No such file or directory
WHAT SHOULD I DO???
Download the script from the link provided in the tutorial.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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