On Wed, Feb 25, 2009, nicholus bhattacharjee wrote:
> I have copied leaprc.ff99SB as leaprc in my working
> directory. the tleap is working fine. but i can not use the solvateBox mol
> WATBOX216 10. its showing massage as bellow
>
> solvateBox: Argument #2 is type String must be of type: [unit]
> usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]
This means that "mol" is not a molecule (unit) as far as leap is
concerned. We would need to know how you created "mol" to be of any
help.
...dac
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Received on Wed Feb 25 2009 - 08:26:01 PST
