From: Dale l. Schruben (kfdls00_at_tamuk.edu)
Date: Mon Apr 26 2010 - 21:18:01 CDT
My thanks to one and all. Things are working fine now. Dale
________________________________
From: Dale l. Schruben
Sent: Fri 4/23/2010 10:19 AM
To: namd-l_at_ks.uiuc.edu
Cc: heninj_at_gmail.com
Subject: FW: ammonia to methane/ c/o Jerome Henin
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
________________________________
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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