[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110124/55dcbe4c/attachment.html>


More information about the gromacs.org_gmx-users mailing list