Hi,
just a remark: I suppose you should set LIGRES and LIGPRI to 1-3 since when
generating the topology for the ligand alone you'll have it numbered
starting from "1". Am I right?
all the best,
Martin Lepsik
> > COMREC 1-133
> > COMLIG 134-136
> > COMPRI 134-136
> > RECRES 1-133
> > RECPRI 1-133
> > RECMAP 1-133
> > LIGRES 134-136
> > LIGPRI 134-136
> > LIGMAP 134-136
>
> The numbering scheme looks ok. Perhaps you set COMPRI to 1-136 to get
> the full output also for the complex?
>
Received on Mon Sep 30 2002 - 00:13:16 PDT
