[gmx-users] question

Andrew Bostick andrew.bostick1 at gmail.com
Sat May 16 22:03:31 CEST 2015

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:

How to resolve this issue?

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

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