[gmx-users] possible PRODRG sever error

[Rongliang Wu]

Hello gmx-users,
      until now i have been using the PRODRG server to generate .gro and topology files for small molecules, but i occasionally found the c1 data for dihedrals are 10 times as large as those in topologies generated from pdb2gmx.  
in PRODRG:
[ dihedrals ]
; ai  aj  ak  al  fu    c0, c1, m, ...
   1   2   3   4   2      0.0 1673.6        0.0 1673.6   ; imp    C1   C3   C5   C7   
   2   3   4   5   2      0.0 1673.6        0.0 1673.6   ; imp    C3   C5   C7   C9   
   3   4   5   6   2      0.0 1673.6        0.0 1673.6   ; imp    C5   C7   C9  C11   
   4   5   6   1   2      0.0 1673.6        0.0 1673.6   ; imp    C7   C9  C11   C1   
   5   6   1   2   2      0.0 1673.6        0.0 1673.6   ; imp    C9  C11   C1   C3   
   6   1   2   3   2      0.0 1673.6        0.0 1673.6   ; imp   C11   C1   C3   C5   
has the server made any mistakes?
by by the way, i have got a off-line PRODRG version, but i always get the errors like:
  ./prodrg_lin: ./prodrg_lin: cannot execute binary file
when i execute the PRODRG_lin executable.
does anybody know how to use the personal PRODRG? 

Thanks!

Regards!
                    
Sincerely,

Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences
 				

　　　　　　　　　　wurl04 at iccas.ac.cn
　　　　　　　　　　2005-12-18