[gmx-users] fatal error in DNA-ligand simulation

marziyeh poshteh shirani m.pshirani at ch.iut.ac.ir
Fri Mar 27 19:17:35 CET 2015


Hi all 
I have the following error and I could not solve it after checking all 
the possible solutions on line. 
Thank you 
M.P.Shirani 
  
Program grompp, VERSION 4.5.5 
Source code file: /build/buildd/gromacs-4.5.5/src/kernaktoppush.c, line: 1166 
Fatal error: 
Atomtype CH2 not found 
These are SOL of line 1166-1168 
 92SOL     OW 1164   0.354   1.510   1.329 
 92SOL    HW1 1165   0.333   1.466   1.242 
 92SOL    HW2 1166   0.451   1.536   1.332 


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