[gmx-users] Problem with Inflategro
razavineda21 at yahoo.com
Tue Jul 28 13:50:05 CEST 2015
I am a new user of gromacs.
Thanks to Mr Justine Lemkul because of his useful tutorials, Lysozyme in
water and kalp15 in DPPC.
currently I am practicing kalp15 tutorial in DPPC, and now 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"
I did the first command genrestr, but now i have two problems:
1) i cannot find InflateGRO instructions online
and i want to know wheather i should do all of its steps or not?
and 2) when i have done InflateGRO instructions, i have to execute the
second command "perl"???????
thank you very much
More information about the gromacs.org_gmx-users