[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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