Hm, no actually it worked (btw it also works for ambpdb, it probably takes just one of the snapshots) and has shown that there is difference of number of atoms between prmtop and crd, but the solution was super simple. I've just used wrong ligand start and receptor start points.
Best regards,
Andrew
08.05.2011, 22:10, "Bill Ross" <ross.cgl.ucsf.EDU>:
>> š[voronkov.t60-2 36739]$ $AMBERHOME/exe/ambpdb -p 36739now.prmtop \
>> š<snapshot_com.crd.1> 36739-min1.pdb
>
> Are you using an mdcrd file instead of a restrt? That won't work.
>
> Bill
>
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Received on Tue May 10 2011 - 09:30:04 PDT
