[gmx-users] simulation of membrane protein

shikha agarwal shikhaiiitabi at gmail.com
Wed Dec 22 11:47:26 CET 2010


Hi,

I have a problem with Gromacs. I want to do MD simulations with my membrane
proteïn in a POPE-membrane. Therefore I followed Justin Lemkul's tutorial on
membrane proteïn simulation.  I want to add ions. But when I use grompp to
get a .tpr

file for genion, Gromacs fives the following error:

/Program grompp, VERSION 4.0.7

Source code file: ../../gromacs-4.0.7/src/kernel/grompp.c, line: 320/
/Fatal error:
No molecules were defined in the system
/

 help me.

shikha agarwal
IIIT-A
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