Re: [gmx-users] Issue in ligand gyration analysis

Nitin, You can use g_polystat and see if you can reproduce your observations. Chandan -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Pleas

Re: [gmx-users] Issue in ligand gyration analysis

On 8/23/13 9:38 AM, Sainitin Donakonda wrote: Thank justin for reply i also thought same i used gromacs 4.5.5 here so just now i used gromacs 4.5.4 it works perfectly but choosing ligand only gives value as zero..can you tell me what might be the reason ? No idea. What is the ligand? -Ju

Re: [gmx-users] Issue in ligand gyration analysis

Thank justin for reply i also thought same i used gromacs 4.5.5 here so just now i used gromacs 4.5.4 it works perfectly but choosing ligand only gives value as zero..can you tell me what might be the reason ? Thanks, Nitin On Fri, Aug 23, 2013 at 3:12 PM, Justin Lemkul wrote: > > > On 8/23/1

Re: [gmx-users] Issue in ligand gyration analysis

On 8/23/13 3:25 AM, Sainitin Donakonda wrote: Hello, I performed 20ns MD simulations on Protein-Ligand Complex. Now i tried to analysis this complex using g_gyrate. Used following command g_gyrate -s MD_first10.tpr -f File.xtc -n index.ndx -o ligand.xvg I Choose Ligand group but it gives th

[gmx-users] Issue in ligand gyration analysis

Hello, I performed 20ns MD simulations on Protein-Ligand Complex. Now i tried to analysis this complex using g_gyrate. Used following command g_gyrate -s MD_first10.tpr -f File.xtc -n index.ndx -o ligand.xvg I Choose Ligand group but it gives this following error.. *** glibc detected *** g_gyr