[gmx-users] about .rtp

Chunying Niu cyniu at mail.shcnc.ac.cn
Thu Sep 25 10:59:00 CEST 2003

 Dear all,  
     I am trying to define a building block for an abnormal residues ( a small molecule  binds with a residue covalently). I inserted it in ffG43a2.rtp. But i donot know how to determine the charge of atoms.
     Thank you!
Chunying Niu
555 Zu Chong Zhi Road, Zhangjiang Hi-Tech Park
Drug Discovery and Design Center
Shanghai Institute of Meteria Medica
Chinese Academy of Sciences
Shanghai 201203, China
Tel:   +86-21-50806600-1201
E-mail: cyniu at mail.shcnc.ac.cn
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