On Sun, 6 Aug 2006 14:51:34 -0700 (PDT), Marc Charendoff <[EMAIL PROTECTED]>
wrote:
> Hey All,
>
> I'm in the middle of trying to perform a MD sim on a
> homoserine lactone. I built the molecule and ran it
> through the PRODRG server and retrieved the .gro and
> .itp files for processing. I call
Hey All,
I'm in the middle of trying to perform a MD sim on a
homoserine lactone. I built the molecule and ran it
through the PRODRG server and retrieved the .gro and
.itp files for processing. I call grompp as such:
grompp -f minim.mdp -c AHLFIN.GRO -p topol.top -o
input.tpr
It returns the foll
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