Hi
I followed the link (
http://archive.ambermd.org/200806/0357.html )
and edited my mm_pbsa_statistics.pm (by changing 1 of ELRAELE, EPB,
PBNONPOL to 0). No longer I have errors like:
WARNING: Missing PBNONPOL for PB in 0 -> Taken from -1
WARNING: Missing ELRAELE for PB in 0 -> Taken from -1
WARNING: Missing EPB for PB in 0 -> Taken from -1
.
.
.
BUT I STILL HAVE:
No values for MM_ELE existing -> Skipping
No values for GB_GBSOL existing -> Skipping
No values for MM_GAS existing -> Skipping
My first question is the same as in the link above:
Can anyone tell me if this was a valid way of solving the
problem or have I misunderstood something?
And, can I skip warning messages for (MM_ELE, GB_GBSOL and MM_GAS)
when calculating binding energy and stability energy?
Grateful
Antonija
Citiram Niel Henriksen <niel.henriksen.utah.edu>:
>
>> Reading ras_raf_II_wt_com.all.out
>> WARNING: Missing PBNONPOL for PB in 0 -> Taken from -1
>> WARNING: Missing ELRAELE for PB in 0 -> Taken from -1
>> WARNING: Missing EPB for PB in 0 -> Taken from -1
>
> The following post may describe a fix for your problem:
>
> http://archive.ambermd.org/200806/0357.html
>
> --Niel
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Received on Mon Aug 24 2009 - 11:11:23 PDT
