Re: [gmx-users] KALP-15 tutorial

On 8/28/16 11:13 AM, Roshan Shrestha wrote: Actually, I thought that I made an error by minimizing system.gro instead of system_inflated.gro. So, I ran energy minimization for system_inflated.gro by renaming tutorial's minim.mdp as em.mdp- gmx grompp -f em.mdp -c system_inflated.gro -p

Re: [gmx-users] KALP-15 tutorial

Actually, I thought that I made an error by minimizing system.gro instead of system_inflated.gro. So, I ran energy minimization for system_inflated.gro by renaming tutorial's minim.mdp as em.mdp- gmx grompp -f em.mdp -c system_inflated.gro -p topol.top -o inflated_em1.tpr But, I am again getting

[gmx-users] KALP-15 tutorial

After using this step- *perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat* Reading. Scaling lipids There are 128 lipids... with 50 atoms per lipid.. Determining upper and lower leaflet... 64 lipids in the upper... 64 lipids in the lower leaflet