[gmx-users] Simulation of POPC in water using CHARMM27

Shima Arasteh shima_arasteh2001 at yahoo.com
Fri May 11 16:06:18 CEST 2012


Dear gmx users,

I'm going to simulate the POPC in water.
I downloaded required files in Tielman site and made the .top file. Then included the CHARMM27.ff in the .top file.
When I run the grompp I get the fatal error as below:
Atomtype CB not found


I have done the same with gromos87.ff . But I didn't see any error.
What's the problem?
Anybody may suggest me how to solve this problem? Is this because of the forcefield? Or something in .top file goes wrong?

Thanks,
Shima
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