[gmx-users] protein-ligand simmulation

Aman Deep r.amandeep2677 at gmail.com
Wed Apr 26 15:23:41 CEST 2017

I am trying to simulate protein-ligand complex simulation and I have
followed the tutorial of Bevan lab but in energy minimization step it gives
me this error...

*Fatal error:*
*Atom type CH1 not found*
*For more information and tips for troubleshooting, please check the

I have made drug.itp file from prodrug and include it in topol.top file but
still it is giving me the error...
please tell me the solution
thank you
Aman Deep
MSc Bioinformatics
Jamia Millia Islamia
New Delhi - 110025

More information about the gromacs.org_gmx-users mailing list