Subject: re: CHARMM Charges

From: Zhang HongYu <[email-masked]>
Date: Thu, 8 Jun 1995 09:48:30 +0900

Dear CHarles, 

CHARMM has its data file of atom type, MASSES.RT, while the 
atom charge is depend on different residue environment,
so in different RTF(residue topology file), such as AMINO.RTF and
POLYSACCHARIDESH.RTF et al, same atom type will take different
charges, thus you need to open different RTF for different molecule.
You have to consult with your system manager for CHARMM data file's
location.

hope this helps

Hongyu Zhang

----------------------------------------------------------------------
Henry Hongyu Zhang, Ph.D. student |  email: [email-masked]
Molecular Design Laboratory       |  	    [email-masked]
Institute of Physical Chemistry   |  Tel: 861-2501490
Peking University                 |  Fax: 861-2501725
Peking 100871 , China		  | 
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               Too stiff, easily broken
                   Too soft,  easily crashed
                      			------------ old Chinese Saying