Hi Ray,
> Yes or no ... it depends on whether you want to use sander for mmpbsa
> types of calculations. I'll change the code in Amber10/sander anyway.
If we are going to release a bug fix for Amber 9 me might as well patch both
the pbsa file and the sander file at the same time no? Can it do any harm to
do that?
> But pb_sasa.f is supposed to be deleted from the Amber9 cvs tree.
It is still in the CVS tree and is also part of the release. Although I just
checked the pbsa Makefile and it is not in there so the file is just dormant
and does not get used so we won't need the patch for this.
It is still in the Amber10 tree as well so you should probably remove it
from there.
All the best
Ross
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|\oss Walker
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Received on Wed May 03 2006 - 06:07:12 PDT
