Hi Developers,
> (1) I think binary restart files (ntxo=0) are no longer allowed (amber10).
> It would be good to re-enact this option though.
I would second that. I tried running an MMPBSA nmode calculation yesterday
and it breaks trying to use ntxo=0. Hacking the script to use ntxo=1 is a
workaround, but results in a loss of precision, right? I dont know if many
people use this way of entropy calculation ATM, but either the mmpbsa.pl
script or the ntxo option need to be adjusted...
Kind Regards,
Thomas
Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Fri Aug 21 2009 - 05:11:39 PDT
