On Thu, Apr 14, 2011, Baptiste Legrand wrote:
> Thanks. I have separated my initial mol2 file and I obtained two prepin
> file. Then, I used the sequence command in leap to merge the two units
> but the wrong tail and head atoms are taken. How can I manually define
> these atoms? Thanks.
See the "set" command (looking for "head" and "tail") in section 3.4.38 of
the Users' Manual.
...dac
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Received on Thu Apr 14 2011 - 11:30:02 PDT
