about *.psf

From: (stting_at_mail.nankai.edu.cn)
Date: Thu May 26 2005 - 23:59:07 CDT

 Hi!
 I generated lig1.psf file by VEGA ZZ,but lots of atom type is not correct!I
modified some of them by hand. In the top_all_prot.inp, I cannot find appropriate
atom type for some atom of the ligand,such as the carbonyl C displayed in the
accessory. I tyied to set it as CC or C ,but when I run namd2 ,it says " FATAL
ERROR:cannot find bond parameters for bond CA-CC/C in parameter files" . What
could I do now?


lig1.gif

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