[gmx-users] help!!

[Justin A. Lemkul]

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

========================================