[gmx-users] Protein - Ligand tetramer simulation

2012-08-09 Thread Ankita naithani
Hi all, I am trying to put a tetrameric protein for Energy Minimization to be followed by MD simulation of course. But, my problem is that it is a tetramer and also I need to perform the simulation with the ligand. I have read the tutorial for Protein-Ligand simulation but that explains for only

Re: [gmx-users] Protein - Ligand tetramer simulation

2012-08-09 Thread Justin Lemkul
On 8/9/12 10:40 AM, Ankita naithani wrote: Hi all, I am trying to put a tetrameric protein for Energy Minimization to be followed by MD simulation of course. But, my problem is that it is a tetramer and also I need to perform the simulation with the ligand. I have read the tutorial for

Re: [gmx-users] Protein - Ligand tetramer simulation

2012-08-09 Thread Ankita naithani
Hi Justin, Thank you so much for a swift response. I will try as suggested and get back to you with my hurdles. Appreciate the help! Best Wishes, Ankita On Thu, Aug 9, 2012 at 4:09 PM, Justin Lemkul jalem...@vt.edu wrote: On 8/9/12 10:40 AM, Ankita naithani wrote: Hi all, I am trying