nikhil damle wrote:
OK till here done ! the pdb file generated for EM should have ATP
molecule @proper position as input .top file has the ATP.itp included.
It did not have. If I do -ci it would randomly replace the solvent. I
want ATP @ its proper location. how do i do this ?
Like I implied several emails ago, you should order the [molecules]
entries according to the coordinate file, as normal.
Mark
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