Hi,
On Fri, 25 Jul 2008, Christopher Gaughan wrote:
> In the input file for generating snapshots from a single directory, there is
> a part where you can specify which atoms are part of the receptor and those
> that are part of the ligand as in:
>
> NUMBER_LIG_GROUPS 1
> LSTART 4081
> LSTOP 4684
> NUMBER_REC_GROUPS 1
> RSTART 1
> RSTOP 4080
> RSTART 0
> RSTOP 0
>
>
> Here- one can add another receptor group. Can I also add another ligand
> group as well- ie. can I have two receptors and twp ligands? Is there some
> limitation in the code that does not allow for this?
Yes, multiple ligand groups appears to be legal; see make_crd_hg.f
However, there are no examples or tests showing this.
Scott
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Received on Sun Aug 03 2008 - 06:07:38 PDT
