Dear Amber Users,
I am trying to calculate the residue decomposition using the mm_pbsa.plscript.
However, I am getting the following message in the log file.
=>> Checking sanity
Checking GENERAL
Implicit SAS calc by sander
Energy decomp is not (yet) possible with GC, AS, NM, PB, MS
I understand that, turning on PB=1 in the input file is giving me the
message.
But I wanted to calculate the PB along with GB.
So is it possible to calculate with AMBER 9 ?
Or do I need to calculate the same in a higher version of AMBER?
Thanks for your suggestions.
best
Jagur
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Received on Fri Aug 09 2013 - 16:30:03 PDT
