On Thu, 2014-09-18 at 19:40 +0530, Asfa Ali wrote:
> Hi,
>
> While running mm_pbsa.pl of a ligand-dna complex, I got the following error
> message:
>
> /data/software/amber91/exe/pbsa -O -i pbsa.in -o pbsa_lig.77.out -c
> ./snapshot_lig.crd.77 -p ./lig_vac.prmtop not successful
>
> The snapshot_com.all.out and snapshot_rec.all.out are fine, only in the
> case of lig, it is stopping at 77.
>
> I checked the ambermailing list and added the line "fillratio = 4.0" in the
> pbsa.in file generated but still the error persists.
Look for the error message inside pbsa_lig.77.out. Try using that error
message as a starting point for an online search.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Sep 18 2014 - 08:00:04 PDT
