On Thu, Nov 10, 2005, Nitin Bhardwaj wrote:
>
> First loaded the prepin and frcmod files only (without loading the
> gaff) and then loaded the PDB. It gives a whole list of errors :
>
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
These are not really errors, but make sense: the leaprc files have the
addAtomTypes commands; if you omit them, you would have to issue the
addAtomTypes commands by some other mechanism.
.....dac
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Received on Sat Nov 12 2005 - 03:53:00 PST
