[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
GROMACS*

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