Dear All,
I got the following error in the MM-PBSA calculation
[...]
=>> Reading files
Reading snapshot_com.all.out
WARNING: Missing PBCAV for PB in 0 -> Taken from -1
WARNING: Missing PBDIS for PB in 0 -> Taken from -1
WARNING: Missing SURF for MS in 0 -> Taken from -1
WARNING: Missing PBCAV for PB in 1 -> Taken from 0
WARNING: Missing PBDIS for PB in 1 -> Taken from 0
WARNING: Missing SURF for MS in 1 -> Taken from 0
WARNING: Missing PBCAV for PB in 2 -> Taken from 1
WARNING: Missing PBDIS for PB in 2 -> Taken from 1
WARNING: Missing SURF for MS in 2 -> Taken from 1
WARNING: Missing PBCAV for PB in 3 -> Taken from 2
WARNING: Missing PBDIS for PB in 3 -> Taken from 2
WARNING: Missing SURF for MS in 3 -> Taken from 2
[...]
and I don't get the final results. The same script works
perfectly for a system of smaller dimension.
do you have any idea on the origin of this and how to fix the problem?
thanks a lot
regards
claudio
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Received on Wed Oct 01 2008 - 05:11:13 PDT
