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.
Kindly suggest.
--
Asfa Ali
Prof. S. Bhattacharya's group,
Dept. of Organic Chemistry,
Indian Institute of Science,
Bangalore-12
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Received on Thu Sep 18 2014 - 07:30:03 PDT
