FW: ammonia to methane/DISREGARD this post-changes to files below make methane work now

From: Dale l. Schruben (kfdls00_at_tamuk.edu)
Date: Wed Apr 07 2010 - 22:36:49 CDT

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Sorry to all this may concern,
 
I saw some things and made some changes to the methane files and they now work too.
Again, sorry to bother.
 
Dale Schruben

________________________________

From: Dale l. Schruben
Sent: Wed 4/7/2010 11:37 AM
To: namd-l_at_ks.uiuc.edu
Subject: ammonia to methane

The attached files to run psfNH3.pgn were given to me and work. The parallel files to run psfCH4.pgn run imperfectly?

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• application/octet-stream attachment: psfNH3.pgn

• application/octet-stream attachment: top_ammonia.inp

• text/plain attachment: NH3.pdb

• application/octet-stream attachment: psfCH4.pgn

• application/octet-stream attachment: top_methane.inp

• text/plain attachment: CH4.pdb

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