subject:"\[gmx\-users\] running energy minimization error"

Re: [gmx-users] running energy minimization error

2012-02-17 Thread Justin A. Lemkul

xiaojiong wrote: Dear, I have finished the command "perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat",the I want to run energy minimization.I submit the command "grompp -f minim.mdp -c system_inflated.gro -p topol.top -o em.tpr".The error like this Back Off!Ijust

[gmx-users] running energy minimization error

2012-02-17 Thread xiaojiong

Dear, I have finished the command "perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat",the I want to run energy minimization.I submit the command "grompp -f minim.mdp -c system_inflated.gro -p topol.top -o em.tpr".The error like this Back Off!Ijust backed up mdout.mdp to