On Sun, Mar 10, 2013, Vaibhav Dixit wrote:
> Authors have given mol2 and frcmod for Heme (in supporting info). But to
> generate suitable prmtop and inpcrd files we need both prepin and frcmod
> files.
This is not correct: LEaP can real mol2 files as well as prepin files, so a
combination of mol2 and frcmod should in principle be all you need.
...dac
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Received on Sun Mar 10 2013 - 09:30:02 PDT
