[AMBER-Developers] Final version??? of PMEMD 10.0 Chamber patch

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 19 Oct 2009 22:24:28 -0700

Dear All,

I have put together what I hope is a final version of the bugfix (bugfix.26)
that adds CHARMM force field support to PMEMD 10, ready for the release of
chamber in AMBERTools 1.3. This patch requires an additional script to
create missing directories and chmod specific files. I have updated the
patch instructions to accommodate this. Attached is an updated bugfix.all
file for AMBER10 and the bugfix application script. I would appreciate it if
you could try this out with your copies of AMBER 10 and let me know if you
encounter any problems.

'save bugfix.all.bz2 and apply_bugfix_all.x in the $AMBERHOME dir (bunzip2
chmod 700 apply_bugfix_all.x
cd src/pmemd/
./configure blah blah blah (if needed)
make clean
make install
cd $AMBERHOME/test
export DO_PARALLEL='blah blah blah'
make test.pmemd

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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Received on Mon Oct 19 2009 - 22:30:03 PDT
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