[gmx-users] Ligand topology in topol.top

2011-11-01 Thread Steven Neumann
Hi Guys, I am using Charmm27 ff for my protein and ligand system. I used SwissParam to generate the topology for my ligand. I included the obtained topology of my ligand as in Justin tutorial: ; Include Position restraint file #ifdef POSRES #include posre.itp #endif ; Include ligand

Re: [gmx-users] Ligand topology in topol.top

2011-11-01 Thread Justin A. Lemkul
Steven Neumann wrote: Hi Guys, I am using Charmm27 ff for my protein and ligand system. I used SwissParam to generate the topology for my ligand. I included the obtained topology of my ligand as in Justin tutorial: ; Include Position restraint file #ifdef POSRES #include posre.itp

Re: [gmx-users] Ligand topology in topol.top

2011-11-01 Thread Steven Neumann
On Tue, Nov 1, 2011 at 4:11 PM, Justin A. Lemkul jalem...@vt.edu wrote: Steven Neumann wrote: Hi Guys, I am using Charmm27 ff for my protein and ligand system. I used SwissParam to generate the topology for my ligand. I included the obtained topology of my ligand as in Justin tutorial:

Re: [gmx-users] Ligand topology in topol.top

2011-11-01 Thread Justin A. Lemkul
Steven Neumann wrote: On Tue, Nov 1, 2011 at 4:11 PM, Justin A. Lemkul jalem...@vt.edu mailto:jalem...@vt.edu wrote: Steven Neumann wrote: Hi Guys, I am using Charmm27 ff for my protein and ligand system. I used SwissParam to generate the topology for my

Re: [gmx-users] Ligand topology in topol.top

2011-11-01 Thread Steven Neumann
On Tue, Nov 1, 2011 at 5:44 PM, Justin A. Lemkul jalem...@vt.edu wrote: Steven Neumann wrote: On Tue, Nov 1, 2011 at 4:11 PM, Justin A. Lemkul jalem...@vt.edumailto: jalem...@vt.edu wrote: Steven Neumann wrote: Hi Guys, I am using Charmm27 ff for my protein and