[gmx-users] Atomtype HW not found when using grompp for energy minimization
Parul tew
parultew at gmail.com
Mon Jan 24 14:55:41 CET 2011
Hello,
I get the following error when I try to run grompp cpmmand for energy
minimization in GROMACS of DPPC membrane
...............................................................................
checking input for internal consistency...
processing topology...
-------------------------------------------------------
Program grompp, VERSION 4.0.7
Source code file: toppush.c, line: 843
Fatal error:
Atomtype HW not found
the topology file of the DPPC contains:
------------------------------------------------------------------------------------------
; This is your topology file
; 1SOL OW 1 -2.449 -4.190 -1.80
;
; Include chain topologies
#include "ffG53a6_lipid.itp"
#include "dppc.itp"
; Include water topology
;include "spc.itp"
; Include ion topologies
;include "ions.itp"
; System specifications
[ system ]
128-Lipid DPPC Bilayer
[ molecules ]
; molecule name nr.
DPPC 128
SOL 3655
------------------------------------------------------------
I am using ffG53a6
thanks
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