[gmx-users] protein simulation

Mark Abraham Mark.Abraham at anu.edu.au
Mon Dec 28 11:54:14 CET 2009


edmund lee wrote:
> Dear all,
> 
> I am trying to do a simulation of protein OMPA. At the step grompp, it 
> shows a fatal error stated " Fatal error: Atomtype 'HC' not found!"
> I tried to configure the error but i failed.  So, hope that anyone can 
> help me in this.

There are various underlying causes. Doing some (more) GROMACS tutorial 
material is probably a good idea.

Mark



More information about the gromacs.org_gmx-users mailing list