Hello 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 of 4: 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? -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
