Tamas Horvath wrote:
So if I generate an .itp with PRODRG, and link it in the .top file, then
grompp can use the original .pdb file? Or it's not that simple?
The order of the [ molecules ] section will have to correspond to the
order in the structure file you supply with -c to grompp, but if you
read the grompp manpage it is obvious that the format of that structure
file is irrelevant.
Mark
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