Re: [gmx-users] Syntax Error when Adding Ions to DNA/ligand complex

2018-08-30 Thread Dallas Warren
http://www.gromacs.org/Documentation/Errors#Invalid_order_for_directive_xxx Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3052 dallas.war...@monash.edu

[gmx-users] Syntax Error when Adding Ions to DNA/ligand complex

2018-08-30 Thread Wahl, David M
Hello GROMACS users, I am attempting to run a molecular dynamics simulation with DNA complexed with a small molecule. I have processed the molecule with ACPYPE, using the GAFF, and merged the topology files into a single topology file. However, when I attempt to use the “grompp” command