[gmx-users] question

[Andrew Bostick]

Dear Tsjerk

Thanks for your quick answer.

Yes, I want to have a link between two chains (GLU from chain B and LYS
from chain E). I am using gromacs 4.5.3. Can I use the option -merge in
this version? After using -merge with pdb2gmx, I encountered with:

Invalid command line argument:
-merge

How to resolve this issue?

Are my charge and charge groups true for GLU2 and LYS2
residues  in aminoacids.rtp file?