[gmx-users] help!!

ankita oindrila oinanki at gmail.com
Fri Jun 15 11:58:39 CEST 2012

 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

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


More information about the gromacs.org_gmx-users mailing list