Re: [gmx-users] Fwd: Adding small molecule parameters to charmm force field

Thanks for the information .. I have got the topology file + .inp file of the molecule .. On Fri, Feb 18, 2011 at 4:45 AM, Justin A. Lemkul wrote: > > > bharat gupta wrote: > >> Hi, >> >> I have obtained the force field paramter of a small molecule >> (parameterized for CHARMM FF) and now I want

Re: [gmx-users] Fwd: Adding small molecule parameters to charmm force field

bharat gupta wrote: Hi, I have obtained the force field paramter of a small molecule (parameterized for CHARMM FF) and now I want to ad this to the charmm force field so that i can use it for simulation . I searched gmx userlist but didn't find any appropriate thread.. can anybody let me k