FW: ammonia to methane/ c/o Jerome Henin

From: Dale l. Schruben (kfdls00_at_tamuk.edu)
Date: Fri Apr 23 2010 - 10:19:19 CDT

The attached files (methane) that do not work where hacked together my me from the ammonia files. There are fields therein that are not covered in the tutorials, hence my hack. Any suggestions to get psfCH4.pgn running correctly would be appreciated. Dale
 
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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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