[gmx-users] problem with kalp simulation in DPPC
razavineda21 at yahoo.com
Tue Jul 28 14:18:23 CEST 2015
I am a new user of gromacs. i have two problems while practicing
simulation of Kalp15 in DPPC Dr Justine Lemkul tutorial
i have problem with this part
"genrestr -f KALP_newbox.gro -o strong_posre.itp -fc 100000 100000 100000
In the .mdp file used for the minimizations, add a line "define = -
DSTRONG_POSRES" to make use of these new position restraints. Then, simply
follow the InflateGRO instructions (contained in the script itself), a
procedure that is easily scripted. Scale the lipid positions by a factor
perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat"
first i cannot find InflateGRO instructions
and i want to know whether i should follow all of the steps or not
and when should i execute this command?
perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat
after doing InflateGRO instructions?
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