On 3/30/16 8:36 AM, Brett wrote:
Dear All,
After steps for pdb2gmx, editconf, solvate, "-f ions.mdp -c target_solv.gro -p topol.top -o ions.tpr", genion,
"grompp -f minim.mdp -c target_solv_ions.gro -p topol.top -o em.tpr", I started step "mdrun -v -deffnm em
&", but in the "mdrun -v
gmx genion -s ions.tpr -o target_solv_ions.gro -p topol.top -pname NA -nname CL
-neutral -conc 0.15
At 2016-03-30 21:38:49, "SAKO MIRZAIE" wrote:
>let me see your neutralizing command to produce ions.tpr.
>
>On 3/30/16, Brett wrote:
>> Dear
let me see your neutralizing command to produce ions.tpr.
On 3/30/16, Brett wrote:
> Dear All,
>
> After steps for pdb2gmx, editconf, solvate, "-f ions.mdp -c target_solv.gro
> -p topol.top -o ions.tpr", genion, "grompp -f minim.mdp -c
> target_solv_ions.gro -p topol.top -o
Dear All,
After steps for pdb2gmx, editconf, solvate, "-f ions.mdp -c target_solv.gro -p
topol.top -o ions.tpr", genion, "grompp -f minim.mdp -c target_solv_ions.gro -p
topol.top -o em.tpr", I started step "mdrun -v -deffnm em &", but in the "mdrun
-v -deffnm em &" step it gave
"Step= 15,
Dear All,
After steps for pdb2gmx, editconf, solvate, "-f ions.mdp -c target_solv.gro -p
topol.top -o ions.tpr", genion, "grompp -f minim.mdp -c target_solv_ions.gro -p
topol.top -o em.tpr", I started step "mdrun -v -deffnm em &", but in the "mdrun
-v -deffnm em &" step it gave
"Step= 15,