protein not found in index file
On 10/13/12 10:32 PM, Liu, Hanzhong wrote:
> Hi All:
> I'm trying to set up a small box with only water and ions (no protein)
> and run MD simulation. The commands I used to set up my system and running MD
> are as follows:
>
> g
Hi All:
I'm trying to set up a small box with only water and ions (no protein) and
run MD simulation. The commands I used to set up my system and running MD are
as follows:
genbox -cs spc216.gro -o water.gro -maxsol 256 -box 2.1 2.1 2.1
pdb2gmx -f water.gro -q water.pdb -n index.
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